Publications

Featured Publications

Defect-activated anatase TiO2 surfaces for enhanced capture of bisphenol S and sulfolane: A coupled DFT and SCC-DFTB analysis

Hassane Lgaz, Mouslim Messali, Eno E. Ebenso, Han-seung Lee

Applied Surface Science, vol. 706, 2025

Eco-inspired imidazolium lignin-based ionic liquids for iron corrosion Inhibition: An integrated theoretical perspective

Hassane Lgaz, Mouslim Messali, Han-seung Lee

Journal of the Indian Chemical Society, vol. 102, 2025

Functional Group Effects on the Interfacial Adsorption of Arylquinoline-3-Carbonitriles on Iron: A DFT-D3 Investigation of Surface Interaction Mechanisms

Hassane Lgaz, Savas Kaya, Dong-Eun Lee, Ali Aldalbahi, Han-Seung Lee

Langmuir, vol. 41, 2025, pp. 350 – 360

Mechanistic Insights into the Eco-Friendly Conifer Cone Extract’s Corrosion Inhibition on Steel Rebar and Cement Mortar: An Experimental and Simulation Approach

Karthick Subbiah, Han-Seung Lee, Hassane Lgaz, Tae Joon Park

Langmuir, vol. 41, 2025, pp. 2269 – 2292

Multifunctional 2D materials for corrosion resistance: Graphene, MXenes and next generation emerging nanostructures

Valentine Chikaodili Anadebe, Sanjukta Zamindar, Afifah Harmayanti, Abhinay Thakur, Nnaemeka Nnaji, Omar Dagdag, Chandrabhan Verma, Hassane Lgaz, Femiana Gapsari, Priyabrata Banerjee, Rakesh Chandra Barik, Akram Alfantazi, Eno E. Ebenso

Coordination Chemistry Reviews, vol. 544, 2025

State-of-the-art progress on artificial intelligence and machine learning in accessing molecular coordination and adsorption of corrosion inhibitors

Taiwo W. Quadri, Ekemini D. Akpan, Saheed E. Elugoke, Lukman O. Olasunkanmi, Sheetal Sheetal, Ashish Kumar Singh, Balaram Pani, Jaya Tuteja, Sudhish Kumar Shukla, Chandrabhan Verma, Hassane Lgaz, Valentine Chikaodili Anadebe, Rakesh Chandra Barik, Lei Guo, Akram AlFantazi, Bakang M. Mothudi, Eno E. Ebenso

Applied Physics Reviews, vol. 12, 2025

State-of-the-art progress on artificial intelligence and machine learning in accessing molecular coordination and adsorption of corrosion inhibitors

Taiwo W. Quadri, Ekemini D. Akpan, Saheed E. Elugoke, Lukman O. Olasunkanmi, Sheetal, Ashish Kumar Singh, Balaram Pani, Jaya Tuteja, Sudhish Kumar Shukla, Chandrabhan Verma, Hassane Lgaz, Valentine Chikaodili Anadebe, Rakesh Chandra Barik, Lei Guo, Akram AlFantazi, Bakang M. Mothudi, Eno E. Ebenso

Applied Physics Reviews, vol. 12, 2025

Strategic core engineering of benzo[c][1,2,5]thiadiazole–4-alkoxythiazole donors: A pathway to low band gap photovoltaic materials

Diae Nebbach, Fatima Agda, Hassane Lgaz, Ali Aldalbahi, Ahmed Azaid, Savas Kaya, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine

Journal of Solid State Chemistry, vol. 350, 2025

Coordination compounds as corrosion inhibitors of metals: A review

Ekemini D. Akpan, Ashish Kumar Singh, Hassane Lgaz, Taiwo W. Quadri, Sudhish Kumar Shukla, Bindu Mangla, Abhishek Dwivedi, Omar Dagdag, Sheetal, Etienying Edem Inyang, Eno E. Ebenso

Coordination Chemistry Reviews, vol. 499, 2024

Molecular-level investigation of the adsorption mechanisms of thiazolidinediones on Cu2O(111) surface: a first-principles DFT study

Hassane Lgaz, Han-Seung Lee

Corrosion Reviews, vol. 42, 2024, pp. 241 – 251

Towards a deeper understanding of the coordination chemistry in pyridinium-based ionic liquids-iron systems: Insights from quantum chemical and semi-empirical investigations

Mouslim Messali, Hassane Lgaz, Saud M. Almutairi, Rachid Salghi

Inorganic Chemistry Communications, vol. 159, 2024

Unraveling the anti-corrosion mechanisms of a novel hydrazone derivative on steel in contaminated concrete pore solutions: An integrated study

Karthick Subbiah, Han-Seung Lee, Mustafa R. Al-Hadeethi, Taejoon Park, Hassane Lgaz

Journal of Advanced Research, vol. 58, 2024, pp. 211 – 228

Assessment of the inhibitive performance of a hydrazone derivative for steel rebar in a simulated concrete medium: Establishing the inhibition mechanism at an experimental and theoretical level

Karthick Subbiah, Han-Seung Lee, Mustafa R. Al-Hadeethi, Taejoon Park, Hassane Lgaz

Chemical Engineering Journal, vol. 458, 2023

Unveiling the potency of Silica-Alumina-rich clay in phenol remediation and its repurposing prospects

Abdelouahed Amar, Abderrahim Kali, Ilyasse Loulidi, Youngjae Cho, Mohamed Sadoq, Chaimaa Hadey, Hafssa Atlass, Smail Imame, Maria Jabri, Hassane Lgaz, Fatima Boukhlifi

Inorganic Chemistry Communications, vol. 154, 2023

Facile preparation of new hydrazone compounds and their application for long-term corrosion inhibition of N80 steel in 15% HCl: An experimental study combined with DFTB calculations

Hassane Lgaz, Han-seung Lee

Journal of Molecular Liquids, vol. 347, 2022

New low-cost tubular ceramic microfiltration membrane based on natural sand for tangential urban wastewater treatment

Mourad Addich, Noureddine El Baraka, Abdellatif Laknifli, Nabil Saffaj, Abdelilah Fatni, Abdellatif El Hammadi, Awad A. Alrashdi, Hassane Lgaz

Journal of Saudi Chemical Society, vol. 26, 2022

Dehydration of bioethanol produced from argane pulp using pervaporation membrane process: Experimental, molecular dynamics and GCMC simulation studies

Fatima Zahrae Zouhair, Mohammed Rachid Kabbour, Fatima Ebich, Aouatif Benali, El haj el Maadoudi, Awad A. Alrashdi, Mohammed Bouksaim, Hassane Lgaz, Azzouz Essamri

Journal of Molecular Liquids, vol. 329, 2021

Enhanced removal efficiency of NaY zeolite toward phenol from aqueous solution by modification with nickel (Ni-NaY)

B. Ba Mohammed, K. Yamni, N. Tijani, H-S. Lee, Y. Dehmani, H. El Hamdani, A.A. Alrashdi, S. Ramola, T. Belwal, H. Lgaz

Journal of Saudi Chemical Society, vol. 25, 2021

Molecular modelling of compounds used for corrosion inhibition studies: a review

Eno E. Ebenso, Chandrabhan Verma, Lukman O. Olasunkanmi, Ekemini D. Akpan, Dakeshwar Kumar Verma, Hassane Lgaz, Lei Guo, Savas Kaya, M.A. Quraishi

Physical Chemistry Chemical Physics, vol. 23, 2021, pp. 19987 – 20027

Phenol adsorption mechanism on the zinc oxide surface: Experimental, cluster DFT calculations, and molecular dynamics simulations

Younes Dehmani, Hassane Lgaz, Awad A. Alrashdi, Taibi Lamhasni, Sadik Abouarnadasse, Ill-Min Chung

Journal of Molecular Liquids, vol. 324, 2021

The effect of heterocyclization of 2-mercaptobenzimidazole on its strength of coordination to iron: A dispersion-corrected DFT study

Hassane Lgaz, Han-seung Lee

Applied Surface Science, vol. 567, 2021

Removal of phenol from aqueous solution by adsorption onto hematite (α-Fe2O3): Mechanism exploration from both experimental and theoretical studies

Younes Dehmani, Awad A. Alrashdi, Hassane Lgaz, Taibi Lamhasni, Sadik Abouarnadasse, Ill-Min Chung

Arabian Journal of Chemistry, vol. 13, 2020, pp. 5474 – 5486

A new insight into corrosion inhibition mechanism of copper in aerated 3.5 wt.% NaCl solution by eco-friendly Imidazopyrimidine Dye: experimental and theoretical approach

Shubhra Pareek, Deepti Jain, Shamima Hussain, Amrita Biswas, Rahul Shrivastava, Saroj K. Parida, Hemanta K. Kisan, Hassane Lgaz, Ill-Min Chung, Debasis Behera

Chemical Engineering Journal, vol. 358, 2019, pp. 725 – 742

Influence of sodium gluconate and cetyltrimethylammonium bromide on the corrosion behavior of duplex (α-β) brass in sulfuric acid solution

Jamila Jennane, Mohamed Ebn Touhami, Saman Zehra, Yacine Baymou, Seung-Hyun Kim, Ill-Min Chung, Hassane Lgaz

Materials Chemistry and Physics, vol. 227, 2019, pp. 200 – 210

On the understanding of the adsorption of Fenugreek gum on mild steel in an acidic medium: Insights from experimental and computational studies

Hassane Lgaz, Ill-Min Chung, Rachid Salghi, Ismat H. Ali, Abdelkarim Chaouiki, Yasmina El Aoufir, Mohammad I. Khan

Applied Surface Science, vol. 463, 2019, pp. 647 – 658

Corrosion

Evaluation of N80 Carbon Steel Corrosion in 15 wt.% HCl Using Isatin-hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations

Abdelkarim Ait Mansour, Abderrazzak Elmoutaouakil Ala Allah, Hassane Lgaz, Mouslim Messali, Han-seung Lee, Lahcen Bazzi, Rachid Salghi, Youssef Ramli, Belkheir Hammouti

Journal of Molecular Structure, vol. 1321, 2025

Multifunctional 2D materials for corrosion resistance: Graphene, MXenes and next generation emerging nanostructures

Coordination Chemistry Reviews, vol. 544, 2025

DFT-guided design and experimental validation of small molecules to fight against mild steel corrosion: Chemical synthesis and extensive evaluation of 4 small enones as corrosion inhibitors

Vinícius M. dos Santos, Caio Machado Fernandes, Marcelo T.G. Sampaio, Hebson O.C. Junior, Javier A.C. Velasco, Bryan Fernández Solano, Ali Aldalbahi, Leonardo X. Alvarez, Hassane Lgaz, Eduardo A. Ponzio

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 726, 2025

Integrating experimental and ab initio DFT approaches to evaluate chalcone derivatives as corrosion inhibitors for mild steel in acidic environment

Vinícius M. dos Santos, Caio Machado Fernandes, Marcelo T.G. Sampaio, Kaio R. Lucio, Javier A.C. Velasco, Fanny L. Salazar, Leonardo X. Alvarez, Hassane Lgaz, Eduardo A. Ponzio

Journal of Molecular Liquids, vol. 418, 2025

Synergistic experimental-computational insights into the protective mechanism of Chinese star anise essential oil on mild steel

Rachid Ihamdane, Malika Tiskar, Abdeslam EL Amri, Hassane Lgaz, Ali Aldalbahi, Brahim Outemsaa, Han-seung Lee, Omar Dagdag, Nadia Dkhireche, Abdechahid Loukili, Abdelaziz Chaouch

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 720, 2025

Mechanistic Insights into the Eco-Friendly Conifer Cone Extract’s Corrosion Inhibition on Steel Rebar and Cement Mortar: An Experimental and Simulation Approach

Karthick Subbiah, Han-Seung Lee, Hassane Lgaz, Tae Joon Park

Langmuir, vol. 41, 2025, pp. 2269 – 2292

A comprehensive study on PANI-MnO2 solid-state reference electrodes for in-situ corrosion assessment in concrete infrastructure

Karthick Subbiah, Hassane Lgaz, Sivasankar Annamalai, Jeong MinGu, Han-Seung Lee, Tae Joon Park

Construction and Building Materials, vol. 468, 2025

Evaluating corrosion inhibition of spiro-pyrazoline-butyrolactones on carbon steel in HCl: Experimental, computational, and COSMO-RS approaches

Youssef Youssefi, Mohamed Jabha, Lahcen Oucheikh, Omar Ou-ani, Hassane Lgaz, Ali Hasnaoui, Ahmad Oubair, Mohamed Znini, Han-seung Lee, Belkheir Hammouti

Materials Today Communications, vol. 44, 2025

Indolin-2-one derivatives as corrosion inhibitors: Structural insights and evaluation through experimental and computational techniques

Abdelkarim Ait Mansour, Hassane Lgaz, Abderrazzak Elmoutaouakil Ala Allah, JongMin Jang, Mouslim Messali, Lahcen Bazzi, Han-seung Lee, Youssef Ramli, Rachid Salghi

Journal of Molecular Structure, vol. 1303, 2024

Comprehensive analysis of a thiazole-substituted corrosion inhibitor's impact on N80 carbon steel in acidic conditions: Integrating computational predictions with experimental verifications

Abdelkarim Ait Mansour, Hassane Lgaz, Abderrazzak Elmoutaouakil Ala Allah, Youssef Ramli, Mouslim Messali, Han-seung Lee, Lahcen Bazzi, Rachid Salghi, Belkheir Hammouti

Materials Chemistry and Physics, vol. 320, 2024

Investigating corrosion failure in N80 carbon Steel: Experimental and theoretical insights into isonicotinohydrazide derivatives as inhibitors in acidic conditions

Abdelkarim Ait Mansour, Karthick Subbiah, Hassane Lgaz, Mustafa R. Al-Hadeethi, Mouslim Messali, Taejoon Park, Lahcen Bazzi, Han-seung Lee, Rachid Salghi

Inorganic Chemistry Communications, vol. 161, 2024

Coordination compounds as corrosion inhibitors of metals: A review

Ekemini D. Akpan, Ashish Kumar Singh, Hassane Lgaz, Taiwo W. Quadri, Sudhish Kumar Shukla, Bindu Mangla, Abhishek Dwivedi, Omar Dagdag, Sheetal, Etienying Edem Inyang, Eno E. Ebenso

Coordination Chemistry Reviews, vol. 499, 2024

Assessment of Warionia saharea Essential Oil as a Green Corrosion Inhibitor for Mild Steel in HCl: Experimental and Computational Studies

Abdeslam Ansari, Youssef Youssefi, Mohamed Tanghourte, Nazih Ouassou, Nazih Asoufar, Mohamed Znini, Hassane Lgaz, El Houssine Mabrouk, Mohamed Azrour, Han-Seung Lee, Belkheir Hammouti

Coatings, vol. 14, 2024

Exploring the efficacy of Congo Red dye as a corrosion inhibitor for aluminum in HCl solution: An interdisciplinary study with RSM modeling and theoretical simulations

Ayoub Chahid, Mohammed Chafi, Mohamed Essahli, Awad A. Alrashdi, Hassane Lgaz

Arabian Journal of Chemistry, vol. 17, 2024

Surface interaction and inhibition mechanisms of hydrazide derivatives on N80 steel in acidizing media: A comprehensive analysis through experimental and theoretical methods

Badr El-Haitout, Hassane Lgaz, Mustafa R. Al-Hadeethi, Han-Seung Lee, Raihana Jannat Adnin, Mouslim Messali, Khadija Haboubi, Lahcen Bazzi, Rachid Salghi

Chemical Physics Letters, vol. 834, 2024

Assessment of Hydrazone Derivatives for Enhanced Steel Corrosion Resistance in 15 wt.% HCl Environments: A Dual Experimental and Theoretical Perspective

Abdelilah El-khlifi, Fatima Zahrae Zouhair, Mustafa R. Al-Hadeethi, Hassane Lgaz, Han-Seung Lee, Rachid Salghi, Belkheir Hammouti, Hamid Erramli

Molecules, vol. 29, 2024

Elucidating the mechanisms of novel thiazole-based corrosion inhibitors in carbon steel/HCl interface: An integrated approach combining experimental and computational studies

Mariyam En-Nyly, Siham Skal, Yasmina El Aoufir, Houda Serrar, Hassane Lgaz, Said Boukhris, Omar Benali, Taoufiq Guedira, Han-seung Lee

Journal of Molecular Structure, vol. 1306, 2024

Selenocyanates and selenotetrazoles derivatives: A detailed experimental and theoretical evaluation as corrosion inhibitors for mild steel in aggressive environment

Caio Machado Fernandes, Pâmella Cordeiro, Victor Menezes, Vinicius Martins, Joel S. dos Reis, Han-Seung Lee, Vanessa Nascimento, Hassane Lgaz, Eduardo A. Ponzio

Electrochimica Acta, vol. 475, 2024

Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives

Caio Machado Fernandes, Renato C.S. Lessa, Dora C.S. Costa, Lucas Guedes, Vinicius Martins, Awad A. Al-Rashdi, Vitor Francisco Ferreira, Fernando de C. da Silva, Júlio César M. Silva, Marcela C. de Moraes, Hassane Lgaz, Eduardo A. Ponzio

Arabian Journal of Chemistry, vol. 17, 2024

Quinoline derivatives as corrosion inhibitors for mild steel in acid medium: Deeper insights from experimental, ab initio density functional theory modeling, and in silico ecotoxicity investigations

Caio Machado Fernandes, Marcos V. Palmeira-Mello, Mylena C. Leite, Gustavo B. da Silva, Alessandra M.T. Souza, Javier A.C. Velasco, Awad A. Al-Rashdi, Hassane Lgaz, Eduardo A. Ponzio

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 696, 2024

Investigating the potency of new imidazolium ionic liquids in preventing carbon steel corrosion in acidic conditions: An integrated experimental and DFTB semi-empirical approach

Chaimae Merimi, Abdelfettah Hmada, Chaymae Hejjaj, Saud M. Almutairi, Hassane Lgaz, Mouslim Messali, Imane Merimi, Nadia Dkhireche, Mohamed Ebn Touhami, Rachid Touzani, Belkheir Hammouti

Inorganic Chemistry Communications, vol. 167, 2024

Towards a deeper understanding of the coordination chemistry in pyridinium-based ionic liquids-iron systems: Insights from quantum chemical and semi-empirical investigations

Mouslim Messali, Hassane Lgaz, Saud M. Almutairi, Rachid Salghi

Inorganic Chemistry Communications, vol. 159, 2024

Unveiling the influence of furan and thiophene on the corrosion inhibition capabilities of novel hydrazones derivatives in carbon steel/HCl interface: A dual experimental-theoretical study

Manal Naciri, Siham Skal, Yasmina El Aoufir, Mustapha R. Al-hadeethi, Hassane Lgaz, Hanane Bidi, Mouloud El Moudane, Ahmed Ghanimi, Abdelkebir Bellaouchou

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 686, 2024

Exploring sustainable corrosion inhibition of copper in saline environment: An examination of hydroquinazolinones via experimental and ab initio DFT simulations

Mohammed Oubahou, Mohamed Rbaa, Hassane Lgaz, Driss Takky, Youssef Naimi, Awad A. Alrashdi, Han-seung Lee

Arabian Journal of Chemistry, vol. 17, 2024

Unraveling the anti-corrosion mechanisms of a novel hydrazone derivative on steel in contaminated concrete pore solutions: An integrated study

Karthick Subbiah, Han-Seung Lee, Mustafa R. Al-Hadeethi, Taejoon Park, Hassane Lgaz

Journal of Advanced Research, vol. 58, 2024, pp. 211 – 228

Bio-Based Corrosion Inhibition of Carbon Steel Using Ammi visnaga L. Essential Oil in Acidic Mediums: Experimental Analysis and Molecular Modeling

Aouatife Zaher, Hassane Lgaz, Asmaa Boukhraz, Ali Aldalbahi, Han-Seung Lee, Brahim Bourkhiss, Mohammed Ouhssine

Coatings, vol. 14, 2024

Insights into the Corrosion Inhibition Performance of Isonicotinohydrazide Derivatives for N80 Steel in 15% HCl Medium: An Experimental and Molecular Level Characterization

Abdelkarim Ait Mansour, Badr El-Haitout, Raihana Jannat Adnin, Hassane Lgaz, Rachid Salghi, Han-Seung Lee, Mustafa R. Alhadeethi, Mouslim Messali, Khadija Haboubi, Ismat H. Ali

Metals, vol. 13, 2023

Interfacial phenomena and surface protection of N80-carbon steel in acidic environments using thiazolidinediones: An experimental and computational analysis

Abdelkarim Ait Mansour, Chaymae Hejjaj, Fatima Zahra Thari, Khalid Karrouchi, Lahcen Bazzi, Khalid Bougrin, Hassane Lgaz, Mouslim Messali, Han-seung Lee, Rachid Salghi

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 677, 2023

Experimental and computational studies on the corrosion mitigation properties of a newly synthesized imine derivative for carbon steel in HCl medium

A. Bouhraoua, O.M.A. Khamaysa, I. Selatnia, H. Lgaz, A. Sid, H. Zeghache, Eno E. Ebenso, Han-Seung Lee

Journal of Molecular Structure, vol. 1284, 2023

Performance and interaction mechanism of a new highly efficient benzimidazole-based epoxy resin for corrosion inhibition of carbon steel in HCl: A study based on experimental and first-principles DFTB simulations

M. Damej, A. Molhi, H. Lgaz, R. Hsissou, J. Aslam, M. Benmessaoud, N. Rezki, H-S. Lee, D-E. Lee

Journal of Molecular Structure, vol. 1273, 2023

Effects of heat treatment on the corrosion behavior and mechanical properties of aluminum alloy 2024

Fatima Ezzohra El Garchani, Hassane Lgaz, Savaş Kaya, Han-Seung Lee, Sobhy M. Ibrahim, Maryam Chafiq, Young Gun Ko, Moulay Rachid Kabiri

Journal of Materials Research and Technology, vol. 25, 2023, pp. 1355 – 1363

Exploring the feasibility of new eco-friendly heterocyclic compounds for establishing efficient corrosion protection for N80 steel in a simulated oil well acidizing environment: From molecular-level prediction to experimental validation

Badr El-Haitout, Ilhem Selatnia, Hassane Lgaz, Mustafa R. Al-Hadeethi, Han-Seung Lee, Abdelkarim Chaouiki, Young Gun Ko, Ismat H. Ali, Rachid Salghi

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 656, 2023

A detailed experimental performance of 4-quinolone derivatives as corrosion inhibitors for mild steel in acid media combined with first-principles DFT simulations of bond breaking upon adsorption

Caio Machado Fernandes, Amanda R.P. Costa, Mylena C. Leite, Vinicius Martins, Han-Seung Lee, Fernanda da C.S. Boechat, Maria C.B.V. de Souza, Pedro N. Batalha, Hassane Lgaz, Eduardo A. Ponzio

Journal of Molecular Liquids, vol. 375, 2023

Experimental assessment and molecular-level exploration of the mechanism of action of Nettle (Urtica dioica L.) plant extract as an eco-friendly corrosion inhibitor for X38 mild steel in sulfuric acidic medium

Radouane Maizia, Aida Zaabar, Atmane Djermoune, Damia Amoura, Serguei Martemianov, Anthony Thomas, Awad A. Alrashdi, Laid Makhloufi, Hassane Lgaz, Abdelhafid Dib, Maryam Chafiq, Young Gun Ko

Arabian Journal of Chemistry, vol. 16, 2023

Exploring the potential of isonicotinohydrazide derivatives in N80 steel corrosion control: An integrated approach through synthesis, modeling, and experimentation in acidic environments

Abdelkarim Ait Mansour, Mustapha R. Al-hadeethi, Hassane Lgaz, Karthick Subbiah, Mouslim Messali, Han-seung Lee, Lahcen Bazzi, Rachid Salghi

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 679, 2023

Performance evaluation and assessment of the corrosion inhibition mechanism of carbon steel in HCl medium by a new hydrazone compound: Insights from experimental, DFT and first-principles DFT simulations

M. En-Nylly, S. Skal, Y. El aoufir, H. Lgaz, Raihana J. Adnin, Awad A. Alrashdi, A. Bellaouchou, M.R. Al-Hadeethi, O. Benali, T. Guedira, H-S. Lee, S. Kaya, S.M. Ibrahim

Arabian Journal of Chemistry, vol. 16(6), 2023

Exploring the mechanisms of eco-friendly pyridinium ionic liquids for corrosion inhibition of carbon steel in saline mediums: Unveiling deeper understanding through experimental and computational approaches

Mouslim Messali, Saud M. Almutairi, Abdelkarim Ait Mansour, Rachid Salghi, Hassane Lgaz

Journal of Materials Research and Technology, vol. 27, 2023, pp. 8292 – 8307

Elucidating the role of novel halogenated hydroquinazolinone derivatives in mitigating copper corrosion in saline conditions: A joint assessment of experimental outcomes and computational analysis

Mohammed Oubahou, Mohamed Rbaa, Driss Takky, Youssef Naimi, Awad A. Alrashdi, Hassane Lgaz

Journal of Molecular Liquids, vol. 390, 2023

Assessment of the inhibitive performance of a hydrazone derivative for steel rebar in a simulated concrete medium: Establishing the inhibition mechanism at an experimental and theoretical level

Karthick Subbiah, Han-Seung Lee, Mustafa R. Al-Hadeethi, Taejoon Park, Hassane Lgaz

Chemical Engineering Journal, vol. 458, 2023

Insights into the Corrosion Inhibition Performance of Three 2-Isoxazoline-γ-Lactones for Carbon Steel in Acidic Medium: Linking Molecular and Experimental-Level Information with Microscopic-Scale Modeling

Youssef Youssefi, Abdeslam Ansari, Omar Ou-ani, Lahcen Oucheikh, Ahmad Oubair, Hassane Lgaz, Belkheir Hammouti, Abdelkarim Chaouiki, Young Gun Ko, Mohamed Znini

Lubricants, vol. 11, 2023

A combined computational & electrochemical exploration of the Ammi visnaga L. extract as a green corrosion inhibitor for carbon steel in HCl solution

Aouatife Zaher, Ruby Aslam, Han-Seung Lee, Azzeddine Khafouri, Moncef Boufellous, Awad A. Alrashdi, Yasmina El aoufir, Hassane Lgaz, Mohammed Ouhssine

Arabian Journal of Chemistry, vol. 15(2), 2022

Experimental and first-principles DFT insights into the corrosion protection mechanism of carbon steel in an HCl medium by two thiazolidinedione compounds

Maryam Chafiq, Fatima Zahra Thari, Han-seung Lee, Abdelkarim Chaouiki, Rachid Salghi, Young Gun Ko, Khalid Karrouchi, Khalid Bougrin, Ismat H. Ali, Hassane Lgaz

Materials Today Communications, vol. 32, 2022

Adsorption Mechanism of Eco-Friendly Corrosion Inhibitors for Exceptional Corrosion Protection of Carbon Steel: Electrochemical and First-Principles DFT Evaluations

Abdelkarim Chaouiki, Maryam Chafiq, Young Gun Ko, Aisha H. Al-Moubaraki, Fatima Zahra Thari, Rachid Salghi, Khalid Karrouchi, Khalid Bougrin, Ismat H. Ali, Hassane Lgaz

Metals, vol. 12, 2022

Epoxy coating as effective anti-corrosive polymeric material for aluminum alloys: Formulation, electrochemical and computational approaches

O. Dagdag, Avni Berisha, Valbonë Mehmeti, Rajesh Haldhar, Elyor Berdimurodov, O. Hamed, S. Jodeh, Hassane Lgaz, El-Sayed M. Sherif, Eno E. Ebenso

Journal of Molecular Liquids, vol. 346, 2022

Superior Long-Term Corrosion Inhibition of N80 Steel by New Eco-friendly Hydrazone-Based Compounds in a Simulated Oil Well Acidizing Environment: Establishing the Mechanism at the Molecular Level

Badr El-Haitout, Chaymae Hejjaj, Hassane Lgaz, Mustafa R. Al-Hadeethi, Omeed Maroof Ali, Han-Seung Lee, Ismat H. Ali, Rachid Salghi

Langmuir, vol. 38, 2022, pp. 15937 – 15949

Facile preparation of new hydrazone compounds and their application for long-term corrosion inhibition of N80 steel in 15% HCl: An experimental study combined with DFTB calculations

Hassane Lgaz, Han-seung Lee

Journal of Molecular Liquids, vol. 347, 2022

Anticorrosive properties of green-synthetized benzylidene derivatives for mild steel in hydrochloric acid: An experimental study combined with DFTB and molecular dynamics simulations

Caio Machado Fernandes, Lucas Guedes, Leonardo X. Alvarez, Adriana M. Barrios, Hassane Lgaz, Han-Seung Lee, Eduardo A. Ponzio

Journal of Molecular Liquids, vol. 363, 2022

An environmentally friendly formulation based on Cannabis sativa L. seed oil for corrosion inhibition of E24 steel in HCl medium: Experimental and theoretical study

Mohamed Damej, Siham Skal, Jeenat Aslam, Meryem Zouarhi, Hamid Erramli, Awad A. Alrashdi, Han-Seung Lee, Yasmina El aoufir, Hassane Lgaz

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 643, 2022

Cupressus arizonica fruit essential oil: A novel green inhibitor for acid corrosion of carbon steel: Cupressus arizonica fruit essential oil

Sara Cherrad, Awad A. Alrashdi, Han-Seung Lee, Yassmina El aoufir, Hassane Lgaz, Badr Satrani, Mohamed Ghanmi, El Mahjoub Aouane, Abdelaziz Chaouch

Arabian Journal of Chemistry, vol. 15(6), 2022

A comprehensive investigation of the electrochemical behavior of nickel-aluminum bronze alloy in alkaline solution: The effect of film formation potential

Hicham Amegroud, Abdellah Guenbour, Abdelkebir Bellaouchou, Yasmina El aoufir, Hassane Lgaz, Ill-Min Chung, Awad A. Alrashdi

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 614, 2021

Electrochemical and theoretical studies of novel synthesized benzimidazole derivatives as corrosion inhibitors for carbon steel in 1 m hcl

Y. El Aoufir, Y. El Bakri, A. Chaouiki, H. Lgaz, H. Oudda, R. Salghi, A. Guenbour, E.M. Essassi

Portugaliae Electrochimica Acta, vol. 39, 2021, pp. 105 – 133

Synergistic inhibition behavior between rhodamine blue and cationic gemini surfactant on mild steel corrosion in 1 M HCl medium

Ruby Aslam, Mohammad Mobin, Jeenat Aslam, Hassane Lgaz, Ill-Min Chung, Saman Zehra

Journal of Molecular Structure, vol. 1228, 2021

Effective green corrosion inhibition of aluminium using analgin in acidic medium: an experimental and theoretical study

Sumayah Bashir, Hassane Lgaz, Ill-Min Chung, Ashish Kumar

Chemical Engineering Communications, vol. 208, 2021, pp. 1121 – 1130

Synthesis, structural analysis and corrosion inhibition application of a new indazole derivative on mild steel surface in acidic media complemented with DFT and MD studies

Mohammed Boulhaoua, Mohamed El Hafi, Saman Zehra, Larbi Eddaif, Awad A. Alrashdi, Sanae Lahmidi, Lei Guo, Joel T. Mague, Hassane Lgaz

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 617, 2021

Electrochemical and theoretical performance of new synthetized pyrazole derivatives as promising corrosion inhibitors for mild steel in acid environment: Molecular structure effect on efficiency

K. Cherrak, M. El Massaoudi, H. Outada, M. Taleb, H. Lgaz, A. Zarrouk, S. Radi, A. Dafali

Journal of Molecular Liquids, vol. 342, 2021

Experimental and theoretical explorations of S-alkylated mercaptobenzimidazole derivatives for use as corrosion inhibitors for carbon steel in HCl

M. Damej, M. Benmessaoud, S. Zehra, S. Kaya, Hassane Lgaz, A. Molhi, N. Labjar, S. El Hajjaji, Awad A. Alrashdi, Han-Seung Lee

Journal of Molecular Liquids, vol. 331, 2021

The corrosion inhibition and adsorption behavior of mercaptobenzimidazole and bis-mercaptobenzimidazole on carbon steel in 1.0 M HCl: Experimental and computational insights

M. Damej, S. Kaya, B. EL Ibrahimi, H.-S. Lee, A. Molhi, G. Serdaroğlu, M. Benmessaoud, I.H. Ali, S. EL Hajjaji, H. Lgaz

Surfaces and Interfaces, vol. 24, 2021

Hydrazone-based green corrosion inhibitors for API grade carbon steel in HCl: Insights from electrochemical, XPS, and computational studies

Oday Mohammad Ahmad Khamaysa, Ilhem Selatnia, Hassane Lgaz, Assia Sid, Han-Seung Lee, Hadjer Zeghache, Merzoug Benahmed, Ismat H. Ali, Paul Mosset

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 626, 2021

Evaluating the corrosion inhibition properties of novel 1,2,3-triazolyl nucleosides and their synergistic effect with iodide ions against mild steel corrosion in HCl: A combined experimental and computational exploration

Hassane Lgaz, Abdelkarim Chaouiki, Maryam Chafiq, Rachid Salghi, Hamza Tachallait, Khalid Bougrin, Hee-Yeon Chi, Chang Kwon, Ill-Min Chung

Journal of Molecular Liquids, vol. 338, 2021

Corrosion inhibition properties of thiazolidinedione derivatives for copper in 3.5 wt.% nacl medium

Hassane Lgaz, Sourav Kr. Saha, Han-Seung Lee, Namhyun Kang, Fatima Zahra Thari, Khalid Karrouchi, Rachid Salghi, Khalid Bougrin, Ismat Hassan Ali

Metals, vol. 11, 2021

Aminomethylpyridazine isomers as corrosion inhibitors for mild steel in 1 M HCl: Electrochemical, DFT and Monte Carlo simulation studies

Motsie E. Mashuga, Lukman O. Olasunkanmi, Hassane Lgaz, El-Sayed M. Sherif, Eno E. Ebenso

Journal of Molecular Liquids, vol. 344, 2021

Adsorption and inhibition mechanism of (Z)-4-((4-methoxybenzylidene)amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione on carbon steel corrosion in HCl: Experimental and theoretical insights

Imane Merimi, Ruby Aslam, Belkheir Hammouti, Tadeusz Szumiata, Hassane Lgaz, Ill-Min Chung

Journal of Molecular Structure, vol. 1231, 2021

Corrosion protection of Q235 steel in acidic-chloride media using seed extracts of Piper guineense

Demian I. Njoku, Chigoziri N. Njoku, Hassane Lgaz, Peter C. Okafor, Emeka E. Oguzie, Ying Li

Journal of Molecular Liquids, vol. 330, 2021

Outstanding anticorrosion and adsorption properties of 2-amino-6-methoxybenzothiazole on Q235 and X70 carbon steels: Effect of time, XPS, electrochemical and theoretical considerations

Demian I. Njoku, Peter C. Okafor, Hassane Lgaz, Kelechi J. Uwakwe, Emeka E. Oguzie, Ying Li

Journal of Molecular Liquids, vol. 324, 2021

New N-Heterocyclic Compounds Based on 8-Hydroxyquinoline as Efficient Corrosion Inhibition for Mild Steel in HCl Solution: Experimental and Theoretical Assessments

M. Rbaa, Ashraf S. Abousalem, M. Galai, H. Lgaz, B. Lakhrissi, I. Warad, A. Zarrouk

Arabian Journal for Science and Engineering, vol. 46, 2021, pp. 257 – 274

Assessment of biodegradable glycine and glutamic acid based ionic liquids as mild steel corrosion inhibitors in acid solution: an experimental and theoretical approach

Saman Zehra, Mohammad Mobin, Ruby Aslam, Hassane Lgaz, Ill-Min Chung

Journal of Molecular Structure, vol. 1240, 2021

Corrosion Inhibition Performance of Acarbose on Mild Steel Corrosion in Acidic Medium: An Experimental and Computational Study

Sumayah Bashir, Abhinay Thakur, Hassane Lgaz, Ill-Min Chung, Ashish Kumar

Arabian Journal for Science and Engineering, vol. 45, 2020, pp. 4773 – 4783

Corrosion inhibition efficiency of bronopol on aluminium in 0.5 M HCl solution: Insights from experimental and quantum chemical studies

Sumayah Bashir, Abhinay Thakur, Hassane Lgaz, Ill-Min Chung, Ashish Kumar

Surfaces and Interfaces, vol. 20, 2020

Benzidine-based Schiff base compounds for employing as corrosion inhibitors for carbon steel in 1.0 M HCl aqueous media by chemical, electrochemical and computational methods

M.A. Bedair, S.A. Soliman, Mostafa F. Bakr, E.S. Gad, Hassane Lgaz, Ill-Min. Chung, Mohamed Salama, Faleh Z. Alqahtany

Journal of Molecular Liquids, vol. 317, 2020

Toward the development of an innovative descaling and corrosion inhibiting solutions to protect mild steel equipment: an experimental and theoretical approach

Hanane Bidi, Mohamed Ebn Touhami, Yacine Baymou, Ill-Min Chung, Hassane Lgaz, Saman Zehra

Chemical Engineering Communications, vol. 207, 2020, pp. 632 – 651

Corrosion resistance of α- and (α + β)-Brasses in a descaling solution by a mixture of imidazole and hexadecyltrimethylammonium bromide

Hanane Bidi, Hassane Lgaz, Mohamed Ebn Touhami, Yacine Baymou, Kim Seung-Hyun, Chang Kwon, Sung-Kyu Park, Yacine Hassani, Ill-Min Chung

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 606, 2020

Unveiled understanding on corrosion inhibition mechanisms of hydrazone derivatives based on naproxen for mild steel in HCl: A joint experimental/theoretical study

Maryam Chafiq, Abdelkarim Chaouiki, Mustafa R. Albayati, Hassane Lgaz, Rachid Salghi, Siham K. AbdelRaheem, Ismat H. Ali, Shaaban K. Mohamed, Ill-Min Chung

Journal of Molecular Liquids, vol. 320, 2020

Evaluation of the effect of two naproxen-based hydrazones on the corrosion inhibition of mild steel in 1.0 M HCl

Maryam Chafiq, Abdelkarim Chaouiki, Mustafa R. Al-Hadeethi, Hassane Lgaz, Rachid Salghi, Siham K. Abdelraheem, Ismat H. Ali, Sara A. M. Ebraheem, Shaaban K. Mohamed, Ill-Min Chung

International Journal of Electrochemical Science, vol. 15, 2020, pp. 9335 – 9353

Bolaamphiphile-class surfactants as corrosion inhibitor model compounds against acid corrosion of mild steel

Maryam Chafiq, Abdelkarim Chaouiki, Mohamed Damej, Hassane Lgaz, Rachid Salghi, Ismat H. Ali, Mohammed Benmessaoud, Sheerin Masroor, Ill-Min Chung

Journal of Molecular Liquids, vol. 309, 2020

Inhibition performances of spirocyclopropane derivatives for mild steel protection in HCl

Maryam Chafiq, Abdelkarim Chaouiki, Hassane Lgaz, Rachid Salghi, K. Vijaya Bhaskar, Riadh Marzouki, K. Subrahmanya Bhat, Ismat H. Ali, Mohammad I. Khan, Ill-Min Chung

Materials Chemistry and Physics, vol. 243, 2020

New spirocyclopropane derivatives: synthesis and evaluation of their performances toward corrosion inhibition of mild steel in acidic media

Maryam Chafiq, Abdelkarim Chaouiki, Hassane Lgaz, Rachid Salghi, K. Vijaya Bhaskar, Poorvi Singh Thakur, K. Subrahmanya Bhat, Ismat H. Ali, Mohammad I. Khan, Ill-Min Chung

Research on Chemical Intermediates, vol. 46, 2020, pp. 2881 – 2918

Synthesis and corrosion inhibition evaluation of a new schiff base hydrazone for mild steel corrosion in HCl medium: electrochemical, DFT, and molecular dynamics simulations studies

Maryam Chafiq, Abdelkarim Chaouiki, Hassane Lgaz, Rachid Salghi, Santosh L. Gaonkar, K. Subrahmanya Bhat, Riadh Marzouki, Ismat H. Ali, Mohammad I. Khan, Hiroki Shimizu, Ill-Min Chung

Journal of Adhesion Science and Technology, vol. 34, 2020, pp. 1283 – 1314

Exploring the corrosion inhibition effect of two hydrazone derivatives for mild steel corrosion in 1.0 M HCl solution via electrochemical and surface characterization studies

Abdelkarim Chaouiki, Maryam Chafiq, Mustafa R. Al-Hadeethi, Hassane Lgaz, Rachid Salghi, Siham K. Abdelraheem, Ismat H. Ali, Sara A. M. Ebraheem, Ill-Min Chung, Shaaban K. Mohamed

International Journal of Electrochemical Science, vol. 15, 2020, pp. 9354 – 9377

Green corrosion inhibition of mild steel by hydrazone derivatives in 1.0 M HCl

Abdelkarim Chaouiki, Maryam Chafiq, Hassane Lgaz, Mustafa R. Al-Hadeethi, Ismat H. Ali, Sheerin Masroor, Ill-Min Chung

Coatings, vol. 10, 2020

New 8-hydroxyquinoline-bearing quinoxaline derivatives as effective corrosion inhibitors for mild steel in HCl: Electrochemical and computational investigations

Abdelkarim Chaouiki, Maryam Chafiq, Mohamed Rbaa, Hassane Lgaz, Rachid Salghi, Brahim Lakhrissi, Ismat H. Ali, Sheerin Masroor, Youngjae Cho

Coatings, vol. 10, 2020

Inhibitory effect of a new isoniazid derivative as an effective inhibitor for mild steel corrosion in 1.0 M HCl: combined experimental and computational study

A. Chaouiki, H. Lgaz, R. Salghi, M. Chafiq, S.L. Gaonkar, K.S. Bhat, H. Oudda, I.H. Ali, I.-M. Chung

Research on Chemical Intermediates, vol. 46, 2020, pp. 2919 – 2950

Assessing the impact of electron-donating-substituted chalcones on inhibition of mild steel corrosion in HCl solution: Experimental results and molecular-level insights

A. Chaouiki, H. Lgaz, R. Salghi, M. Chafiq, H. Oudda, Shubhalaxmi, K.S. Bhat, I. Cretescu, I.H. Ali, R. Marzouki, I.-M. Chung

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 588, 2020

Comparative Investigation of Corrosion-Mitigating Behavior of Thiadiazole-Derived Bis-Schiff Bases for Mild Steel in Acid Medium: Experimental, Theoretical, and Surface Study

Bhawna Chugh, Ashish K. Singh, Sanjeeve Thakur, Balaram Pani, Hassane Lgaz, Ill-Min Chung, Ranjana Jha, Eno E. Ebenso

ACS Omega, vol. 5, 2020, pp. 13503 – 13520

The effect of the alkyl chain length on corrosion inhibition performances of 1,2,4-triazole-based compounds for mild steel in 1.0 M HCl: Insights from experimental and theoretical studies

Y. El Aoufir, R. Aslam, F. Lazrak, R. Marzouki, S. Kaya, S. Skal, A. Ghanimi, I.H. Ali, A. Guenbour, H. Lgaz, I.-M. Chung

Journal of Molecular Liquids, vol. 303, 2020

Electrochemical and theoretical studies of novel synthesized benzimidazole derivatives as corrosion inhibitors for carbon steel in 1 M HCl

Y. El Aoufir, Y. El Bakri, A. Chaouiki, H. Lgaz, H. Oudda, R. Salghi, A. Guenbour, E.M. Essassi

Portugaliae Electrochimica Acta, vol. 38, 2020, pp. 253 – 280

Theoretical Prediction and Experimental Study of Benzimidazole Derivate as a Novel Corrosion Inhibitor for Carbon Steel in 1.0 M HCl

Y. El Aoufir, J. Sebhaoui, H. Lgaz, Y. El Bakri, A. Guenbour, F. Bentiss, A. Zarrouk, E.M. Essassi, H. Oudda

Protection of Metals and Physical Chemistry of Surfaces, vol. 56, 2020, pp. 1027 – 1038

Interfacial adsorption behavior of quaternary phosphonium based ionic liquids on metal-electrolyte interface: Electrochemical, surface characterization and computational approaches

Madhusudan Goyal, Sudershan Kumar, ChandrabhanVerma, Indra Bahadur, Eno E. Ebenso, Hassane Lgaz, Ill-Min Chung

Journal of Molecular Liquids, vol. 298, 2020

Electrochemical and surface studies on chemically modified glucose derivatives as environmentally benign corrosion inhibitors

Jiyaul Haque, Vandana Srivastava, Dheeraj Singh Chauhan, M.A. Quraishi, A. Madhan Kumar, Hassane Lgaz

Sustainable Chemistry and Pharmacy, vol. 16, 2020

Polar group substituted imidazolium zwitterions as eco-friendly corrosion inhibitors for mild steel in acid solution

Jiyaul Haque, Vandana Srivastava, Mumtaz A. Quraishi, Dheeraj Singh Chauhan, Hassane Lgaz, Ill-Min Chung

Corrosion Science, vol. 172, 2020

Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

Oday Mohammad Ahmad Khamaysa, Ilhem Selatnia, Hadjer Zeghache, Hassane Lgaz, Assia Sid, Ill-Min Chung, Merzoug Benahmed, Noureddine Gherraf, Paul Mosset

Journal of Molecular Liquids, vol. 315, 2020

Improved corrosion resistance of mild steel in acidic solution by hydrazone derivatives: An experimental and computational study

Hassane Lgaz, Ill-Min Chung, Mustafa R. Albayati, Abdelkarim Chaouiki, Rachid Salghi, Shaaban K. Mohamed

Arabian Journal of Chemistry, vol. 13, 2020, pp. 2934 – 2954

Evaluation of 2-mercaptobenzimidazole derivatives as corrosion inhibitors for mild steel in hydrochloric acid

Hassane Lgaz, Sheerin Masroor, Maryam Chafiq, Mohamed Damej, Ameni Brahmia, Rachid Salghi, Mohammed Benmessaoud, Ismat H. Ali, Majed M. Alghamdi, Abdelkarim Chaouiki, Ill-Min Chung

Metals, vol. 10, 2020

Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution: Insights from experimental and computational studies

Hassane Lgaz, Sourav Kr. Saha, Abdelkarim Chaouiki, K. Subrahmanya Bhat, Rachid Salghi, Shubhalaxmi, Priyabrata Banerjee, Ismat H. Ali, Mohammad I. Khan, Ill-Min Chung

Construction and Building Materials, vol. 233, 2020

Exploring the potential of a new 1,2,4-triazole derivative for corrosion protection of carbon steel in HCl: A computational and experimental evaluation

Manal Naciri, Yasmina El Aoufir, Hassane Lgaz, Fatima Lazrak, Ahmed Ghanimi, Abdallah Guenbour, ismat H. Ali, Mouloud El Moudane, Jamal Taoufik, Ill-Min Chung

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 597, 2020

Lemon seeds as green coating material for mitigation of mild steel corrosion in acid media: Molecular dynamics simulations, quantum chemical calculations and electrochemical studies

Shweta Pal, Gopal Ji, Hassane Lgaz, Ill-Min Chung, Rajiv Prakash

Journal of Molecular Liquids, vol. 316, 2020

Comprehensive investigation of steel corrosion inhibition at macro/micro level by ecofriendly green corrosion inhibitor in 15% HCl medium

Ambrish Singh, K.R. Ansari, Dheeraj Singh Chauhan, M.A. Quraishi, H. Lgaz, Ill-Min Chung

Journal of Colloid and Interface Science, vol. 560, 2020, pp. 225 – 236

Green approach of synthesis of thiazolyl imines and their impeding behavior against corrosion of mild steel in acid medium

Ashish Kumar Singh, Bhawna Chugh, Sanjeeve Thakur, Balaram Pani, Hassane Lgaz, Ill-Min Chung, Shweta Pal, Rajiv Prakash

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 599, 2020

Evaluation of inhibitive and adsorption behavior of thiazole-4-carboxylates on mild steel corrosion in HCl

Y. El aoufir, S. Zehra, H. Lgaz, A. Chaouiki, H. Serrar, S. Kaya, R. Salghi, S.K. AbdelRaheem, S. Boukhris, A. Guenbour, Ill-Min Chung

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 606, 2020

Inhibitory effect of sodium carboxymethylcellulose and synergistic biodegradable gemini surfactants as effective inhibitors for MS corrosion in 1 M HCl

Ruby Aslam, Mohammad Mobin, Jeenat Aslam, Hassane Lgaz, Ill-Min Chung

Journal of Materials Research and Technology, vol. 8, 2019, pp. 4521 – 4533

Potential of Venlafaxine in the inhibition of mild steel corrosion in HCl: insights from experimental and computational studies

Sumayah Bashir, Hassane Lgaz, III-Min Chung, Ashish Kumar

Chemical Papers, vol. 73, 2019, pp. 2255 – 2264

Electrochemical Behavior and Computational Analysis of Phenylephrine for Corrosion Inhibition of Aluminum in Acidic Medium

Sumayah Bashir, Vivek Sharma, Gurmeet Singh, Hassane Lgaz, Rachid Salghi, Ambrish Singh, Ashish Kumar

Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, vol. 50, 2019, pp. 468 – 479

Computational and experimental studies on Phenylephrine as anti-corrosion substance of mild steel in acidic medium

Sumayah Bashir, Abhinay Thakur, Hassane Lgaz, Ill-Min Chung, Ashish Kumar

Journal of Molecular Liquids, vol. 293, 2019

Biopolymer dextrin and poly (vinyl acetate) based graft copolymer as an efficient corrosion inhibitor for mild steel in hydrochloric acid: Electrochemical, surface morphological and theoretical studies

Amrita Biswas, Dipankar Das, Hassane Lgaz, Sagar Pal, Udayabhanu G. Nair

Journal of Molecular Liquids, vol. 275, 2019, pp. 867 – 878

An Exploration about the Interaction of Mild Steel with Hydrochloric Acid in the Presence of N-(Benzo[d]thiazole-2-yl)-1-phenylethan-1-imines

Bhawna Chugh, Ashish Kumar Singh, Sanjeeve Thakur, Balaram Pani, Ajit Kumar Pandey, Hassane Lgaz, Ill-Min Chung, Eno E. Ebenso

Journal of Physical Chemistry C, vol. 123, 2019, pp. 22897 – 22917

Functionalized graphene oxide as a new generation corrosion inhibitor for industrial pickling process: DFT and experimental approach

Rajeev Kumar Gupta, Manisha Malviya, K.R. Ansari, H. Lgaz, D.S. Chauhan, M.A. Quraishi

Materials Chemistry and Physics, vol. 236, 2019

Influence of sodium gluconate and cetyltrimethylammonium bromide on the corrosion behavior of duplex (α-β) brass in sulfuric acid solution

Jamila Jennane, Mohamed Ebn Touhami, Saman Zehra, Yacine Baymou, Seung-Hyun Kim, Ill-Min Chung, Hassane Lgaz

Materials Chemistry and Physics, vol. 227, 2019, pp. 200 – 210

Effects of cetyltrimethylammonium bromide on the corrosion inhibition of a lead-free α-brass by sodium gluconate in sulfuric acid

Jamila Jennane, Mohamed Ebn Touhami, Saman Zehra, Ill-Min Chung, Hassane Lgaz

Journal of Electrochemical Science and Technology, vol. 10, 2019, pp. 257 – 270

Synthesis and evaluation of some new hydrazones as corrosion inhibitors for mild steel in acidic media

Hassane Lgaz, Abdelkarim Chaouiki, Mustafa R. Albayati, Rachid Salghi, Yasmina El Aoufir, Ismat H. Ali, Mohammad I. Khan, Shaaban K. Mohamed, Ill-Min Chung

Research on Chemical Intermediates, vol. 45, 2019, pp. 2269 – 2286

On the understanding of the adsorption of Fenugreek gum on mild steel in an acidic medium: Insights from experimental and computational studies

Hassane Lgaz, Ill-Min Chung, Rachid Salghi, Ismat H. Ali, Abdelkarim Chaouiki, Yasmina El Aoufir, Mohammad I. Khan

Applied Surface Science, vol. 463, 2019, pp. 647 – 658

Experimental and theoretical investigation of aqueous and methanolic extracts of Prunus dulcis peels as green corrosion inhibitors of mild steel in aggressive chloride media

Shweta Pal, Hassane Lgaz, Preeti Tiwari, Ill-Min Chung, Gopal Ji, Rajiv Prakash

Journal of Molecular Liquids, vol. 276, 2019, pp. 347 – 361

A new insight into corrosion inhibition mechanism of copper in aerated 3.5 wt.% NaCl solution by eco-friendly Imidazopyrimidine Dye: experimental and theoretical approach

Shubhra Pareek, Deepti Jain, Shamima Hussain, Amrita Biswas, Rahul Shrivastava, Saroj K. Parida, Hemanta K. Kisan, Hassane Lgaz, Ill-Min Chung, Debasis Behera

Chemical Engineering Journal, vol. 358, 2019, pp. 725 – 742

PVP oxime-TiO 2 -adenine as a hybrid material: Decent synthesis and depiction with advanced theoretical measurements for anticorrosive behavior and antibacterial potentiality

Nisha Saini, Priti Pahuja, Hassane Lgaz, Ill-Min Chung, Krishan Selwal, Sushila Singhal, Suman Lata

Journal of Molecular Liquids, vol. 278, 2019, pp. 438 – 451

Solvent-free microwave assisted synthesis and corrosion inhibition study of a series of hydrazones derived from thiophene derivatives: Experimental, surface and theoretical study

A.K. Singh, S. Thakur, B. Pani, B. Chugh, H. Lgaz, Ill-Min Chung, P. Chaubey, A.K. Pandey, J. Singh

Journal of Molecular Liquids, vol. 283, 2019, pp. 788 – 803

Corrosion inhibition performance of imidazolidine derivatives for J55 pipeline steel in acidic oilfield formation water: Electrochemical, surface and theoretical studies

Ambrish Singh, K.R. Ansari, Yuanhua Lin, M.A. Quraishi, Hassane Lgaz, Ill-Min Chung

Journal of the Taiwan Institute of Chemical Engineers, vol. 95, 2019, pp. 341 – 356

Experimental, density functional theory and molecular dynamics supported adsorption behavior of environmental benign imidazolium based ionic liquids on mild steel surface in acidic medium

Chandrabhan Verma, Lukman O. Olasunkanmi, Indra Bahadur, H. Lgaz, M.A. Quraishi, J. Haque, El-Sayed M. Sherif, Eno E. Ebenso

Journal of Molecular Liquids, vol. 273, 2019, pp. 1 – 15

Adsorption and anticorrosion behaviour of mild steel treated with 2-((1H-indol-2-yl)thio)-6-amino-4-phenylpyridine-3,5-dicarbonitriles in a hydrochloric acid solution: Experimental and computational studies

Chandrabhan Verma, M.A. Quraishi, H. Lgaz, L.O. Olasunkanmi, El-Sayed M. Sherif, R. Salghi, Eno E. Ebenso

Journal of Molecular Liquids, vol. 283, 2019, pp. 491 – 506

Sugar based N,N′-didodecyl-N,N′digluconamideethylenediamine gemini surfactant as corrosion inhibitor for mild steel in 3.5% NaCl solution-effect of synergistic KI additive /704/172/4081 /639/301/1023/1026 /119 /119/118 article

Ruby Aslam, Mohammad Mobin, Jeenat Aslam, Hassane Lgaz

Scientific Reports, vol. 8, 2018

The inhibition action of analgin on the corrosion of mild steel in acidic medium: A combined theoretical and experimental approach

Sumayah Bashir, Vivek Sharma, Hassane Lgaz, Ill-Min Chung, Ambrish Singh, Ashish Kumar

Journal of Molecular Liquids, vol. 263, 2018, pp. 454 – 462

Towards a Deeper Understanding of the Anticorrosive Properties of Hydrazine Derivatives in Acid Medium: Experimental, DFT and MD Simulation Assessment

A. Bouoidina, F. El-Hajjaji, M. Drissi, M. Taleb, B. Hammouti, Ill-Min Chung, S. Jodeh, H. Lgaz

Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, vol. 49, 2018, pp. 5180 – 5191

Understanding corrosion inhibition of mild steel in acid medium by new benzonitriles: Insights from experimental and computational studies

A. Chaouiki, H. Lgaz, Ill-Min Chung, I.H. Ali, S.L. Gaonkar, K.S. Bhat, R. Salghi, H. Oudda, M.I. Khan

Journal of Molecular Liquids, vol. 266, 2018, pp. 603 – 616

Thiosemicarbazide and thiocarbohydrazide functionalized chitosan as ecofriendly corrosion inhibitors for carbon steel in hydrochloric acid solution

Dheeraj Singh Chauhan, K.R. Ansari, A.A. Sorour, M.A. Quraishi, H. Lgaz, R. Salghi

International Journal of Biological Macromolecules, vol. 107, 2018, pp. 1747 – 1757

Phosphorous-based epoxy resin composition as an effective anticorrosive coating for steel

O. Dagdag, A. El Harfi, A. Essamri, M. El Gouri, S. Chraibi, M. Assouag, B. Benzidia, O. Hamed, H. Lgaz, S. Jodeh

International Journal of Industrial Chemistry, vol. 9, 2018, pp. 231 – 240

Microwave-Induced Synthesis of Chitosan Schiff Bases and Their Application as Novel and Green Corrosion Inhibitors: Experimental and Theoretical Approach

Jiyaul Haque, Vandana Srivastava, Dheeraj S. Chauhan, Hassane Lgaz, Mumtaz A. Quraishi

ACS Omega, vol. 3, 2018, pp. 5654 – 5668

A new schiff base derivative as an effective corrosion inhibitor for mild steel in acidic media: Experimental and computer simulations studies

M. Messali, M. Larouj, H. Lgaz, N. Rezki, F.F. Al-Blewi, M.R. Aouad, A. Chaouiki, R. Salghi, Ill-Min Chung

Journal of Molecular Structure, vol. 1168, 2018, pp. 39 – 48

Synthesis, characterization and corrosion inhibition studies of N-phenyl-benzamides on the acidic corrosion of mild steel: Experimental and computational studies

Ankush Mishra, Chandrabhan Verma, H. Lgaz, Vandana Srivastava, M.A. Quraishi, Eno E. Ebenso

Journal of Molecular Liquids, vol. 251, 2018, pp. 317 – 332

Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach

Demian I. Njoku, Ying Li, Hassane Lgaz, Emeka E. Oguzie

Journal of Molecular Liquids, vol. 249, 2018, pp. 371 – 388

Minified dose of urispas drug as better corrosion constraint for soft steel in sulphuric acid solution

Nisha Saini, Rajeev Kumar, Hssane Lgaz, Rachid Salghi, Ill-Min Chung, Sumit Kumar, Suman Lata

Journal of Molecular Liquids, vol. 269, 2018, pp. 371 – 380

Effect of electron donating functional groups on corrosion inhibition of J55 steel in a sweet corrosive environment: Experimental, density functional theory, and molecular dynamic simulation

Ambrish Singh, Kashif R. Ansari, Mumtaz A. Quraishi, Hassane Lgaz

Materials, vol. 12, 2018

Effect of electron donating functional groups on corrosion inhibition of mild steel in hydrochloric acid: Experimental and quantum chemical study

Ambrish Singh, K.R. Ansari, Jiyaul Haque, Parul Dohare, Hassane Lgaz, Rachid Salghi, M.A. Quraishi

Journal of the Taiwan Institute of Chemical Engineers, vol. 82, 2018, pp. 233 – 251

Synthesis and investigation of pyran derivatives as acidizing corrosion inhibitors for N80 steel in hydrochloric acid: Theoretical and experimental approaches

Ambrish Singh, K.R. Ansari, M.A. Quraishi, Hassane Lgaz, Yuanhua Lin

Journal of Alloys and Compounds, vol. 762, 2018, pp. 347 – 362

Eco friendly green inhibitor Gum Arabic (GA) for the corrosion control of mild steel in hydrochloric acid medium

Khalil Azzaoui, Emiloud Mejdoubi, Shehdeh Jodeh, Abdellatif Lamhamdi, Enrique Rodriguez-Castellón, Manuel Algarra, Abdelkader Zarrouk, Abderrazak Errich, Rachid Salghi, Hassane Lgaz

Corrosion Science, vol. 129, 2017, pp. 70 – 81

New phosphonate based corrosion inhibitors for mild steel in hydrochloric acid useful for industrial pickling processes: Experimental and theoretical approach

Neeraj Kumar Gupta, Chandrabhan Verma, R. Salghi, H. Lgaz, A.K. Mukherjee, M.A. Quraishi

New Journal of Chemistry, vol. 41, 2017, pp. 13114 – 13129

N -Methyl- N, N, N -trioctylammonium chloride as a novel and green corrosion inhibitor for mild steel in an acid chloride medium: Electrochemical, DFT and MD studies

Jiyaul Haque, V. Srivastava, Chandrabhan Verma, H. Lgaz, R. Salghi, M.A. Quraishi

New Journal of Chemistry, vol. 41, 2017, pp. 13647 – 13662

Corrosion inhibition performance of chromone-3-acrylic acid derivatives for low alloy steel with theoretical modeling and experimental aspects

Rajeev Kumar, Savita Chahal, Sumit Kumar, Suman Lata, Hassane Lgaz, Rachid Salghi, Shehdeh Jodeh

Journal of Molecular Liquids, vol. 243, 2017, pp. 439 – 450

Effect of clozapine on inhibition of mild steel corrosion in 1.0 M HCl medium

Hassane Lgaz, Rachid Salghi, Shehdeh Jodeh, Belkheir Hammouti

Journal of Molecular Liquids, vol. 225, 2017, pp. 271 – 280

Hassane Lgaz, Rachid Salghi, K. Subrahmanya Bhat, Abdelkarim Chaouiki, Shubhalaxmi, Shehdeh Jodeh

Journal of Molecular Liquids, vol. 244, 2017, pp. 154 – 168

Insights into corrosion inhibition behavior of three chalcone derivatives for mild steel in hydrochloric acid solution

Hassane Lgaz, K. Subrahmanya Bhat, Rachid Salghi, Shubhalaxmi, Shehdeh Jodeh, Manuel Algarra, Belkheir Hammouti, Ismat Hassan Ali, Azzouz Essamri

Journal of Molecular Liquids, vol. 238, 2017, pp. 71 – 83

Guar gum as efficient non-toxic inhibitor of carbon steel corrosion in phosphoric acid medium: Electrochemical, surface, DFT and MD simulations studies

M. Messali, H. Lgaz, R. Dassanayake, R. Salghi, S. Jodeh, N. Abidi, O. Hamed

Journal of Molecular Structure, vol. 1145, 2017, pp. 43 – 54

Amino acid based imidazolium zwitterions as novel and green corrosion inhibitors for mild steel: Experimental, DFT and MD studies

V. Srivastava, Jiyaul Haque, C. Verma, P. Singh, H. Lgaz, R. Salghi, M.A. Quraishi

Journal of Molecular Liquids, vol. 244, 2017, pp. 340 – 352

Computational

Functional Group Effects on the Interfacial Adsorption of Arylquinoline-3-Carbonitriles on Iron: A DFT-D3 Investigation of Surface Interaction Mechanisms

Hassane Lgaz, Savas Kaya, Dong-Eun Lee, Ali Aldalbahi, Han-Seung Lee

Langmuir, vol. 41, 2025, pp. 350 – 360

Defect-activated anatase TiO2 surfaces for enhanced capture of bisphenol S and sulfolane: A coupled DFT and SCC-DFTB analysis

Hassane Lgaz, Mouslim Messali, Eno E. Ebenso, Han-seung Lee

Applied Surface Science, vol. 706, 2025

Eco-inspired imidazolium lignin-based ionic liquids for iron corrosion Inhibition: An integrated theoretical perspective

Hassane Lgaz, Mouslim Messali, Han-seung Lee

Journal of the Indian Chemical Society, vol. 102, 2025

Bio-derived ionic liquids for iron surface protection: A multiscale investigation of cholinium lignin-based inhibitors

Hassane Lgaz, Mouslim Messali, Han-seung Lee, Murad M.A. Abualrejal

Materials Chemistry and Physics, vol. 341, 2025

Computational exploration of a chlorinated tetrahydroisoquinoline: Geometry, reactivity, noncovalent interactions, and molecular docking evaluation

Mouslim Messali, Gaurav Jhaa, Awad A. Alrashdi, Han-seung Lee, Savaş Kaya, Abdelaziz Sabik, Murad M.A. Abualrejal, Hassane Lgaz

Results in Physics, vol. 75, 2025

Strategic core engineering of benzo[c][1,2,5]thiadiazole–4-alkoxythiazole donors: A pathway to low band gap photovoltaic materials

Diae Nebbach, Fatima Agda, Hassane Lgaz, Ali Aldalbahi, Ahmed Azaid, Savas Kaya, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine

Journal of Solid State Chemistry, vol. 350, 2025

State-of-the-art progress on artificial intelligence and machine learning in accessing molecular coordination and adsorption of corrosion inhibitors

Applied Physics Reviews, vol. 12, 2025

State-of-the-art progress on artificial intelligence and machine learning in accessing molecular coordination and adsorption of corrosion inhibitors

Applied Physics Reviews, vol. 12, 2025

A multi-scale computational investigation of cationic dye interaction with rutile TiO2: An interconnected simulation approach

Zakaria Ait El Caid, Driss Benmessaoud Left, Hassane Lgaz, Han-seung Lee, Mustapha Zertoubi

Inorganic Chemistry Communications, vol. 164, 2024

First principle calculations of Janus 2D-TiSSe as an anodic electrode in batteries of lithium, sodium, and magnesium ions

Ohoud Al-Qurashi, Kamal A. Soliman, Hassane Lgaz, Zaki Safi, Nuha Wazzan

Journal of Molecular Modeling, vol. 30, 2024

Atomic-Level Insights into the Adsorption of Methyl-Substituted Quinoxalinones on Fe(110): A Dispersion-Corrected DFT Analysis

Hassane Lgaz, Ali Aldalbahi, Han-Seung Lee

Molecules, vol. 29, 2024

Exploring the adsorption characteristics of quinoline derivatives on iron via ab initio DFT simulations and COSMO-RS profiles

Hassane Lgaz, Savas Kaya, Ali Aldalbahi, Han-seung Lee

Journal of Molecular Liquids, vol. 415, 2024

How does the integration of amino acids enhance the bonding ability of triazine-based inhibitors with iron surfaces: Insights from SCC-DFTB, COSMO-RS and molecular dynamics simulations

Hassane Lgaz, Dong-Eun Lee, Ali Aldalbahi, Han-seung Lee

Journal of Molecular Liquids, vol. 414, 2024

Molecular-level investigation of the adsorption mechanisms of thiazolidinediones on Cu2O(111) surface: a first-principles DFT study

Hassane Lgaz, Han-Seung Lee

Corrosion Reviews, vol. 42, 2024, pp. 241 – 251

Comprehensive structural characterization and Quantum mechanical exploration of o-phenylenediamine Dihydrogenphosphate: An integrated theoretical and experimental approach

Abdellatif Rafik, Hassane Lgaz, Hafid Zouihri, Han-seung Lee, Taoufiq Guedira

Inorganica Chimica Acta, vol. 564, 2024

Multiscale computational modeling of phytochemicals for iron corrosion inhibition: Bridging DFT, SCC-DFTB, and molecular dynamics for eco-friendly solutions

Nuha Wazzan, I.B. Obot, Hassane Lgaz, Zaki Safi, Ohoud Al-Qurashi

Journal of Molecular Liquids, vol. 406, 2024

Computational insights into the adsorption mechanisms of anionic dyes on the rutile TiO2 (1 1 0) surface: Combining SCC-DFT tight binding with quantum chemical and molecular dynamics simulations

Otheman Amrhar, Han-Seung Lee, Hassane Lgaz, Avni Berisha, Eno E. Ebenso, Youngjae Cho

Journal of Molecular Liquids, vol. 377, 2023

Comprehensive analysis of the structural, elastic, electronic, optical, and mechanical properties of orthorhombic CS(NH2)2 under pressure: A first-principles approach

Ayoub Eddhimi, Hassane Lgaz, Han-seung Lee, Hafid Zouihri

Materials Today Communications, vol. 37, 2023

Molecular insights into the corrosion inhibition mechanism of omeprazole and tinidazole: a theoretical investigation

Savaş Kaya, Hassane Lgaz, Abhinay Thakkur, Ashish Kumar, Dilara Özbakır Işın, Nihat Karakuş, Samia Ben Ahmed

Molecular Simulation, vol. 49, 2023, pp. 1632 – 1646

Computational Exploration of Phenolic Compounds in Corrosion Inhibition: A Case Study of Hydroxytyrosol and Tyrosol

Hassane Lgaz, Han-Seung Lee

Materials, vol. 16, 2023

Unraveling Bonding Mechanisms and Electronic Structure of Pyridine Oximes on Fe(110) Surface: Deeper Insights from DFT, Molecular Dynamics and SCC-DFT Tight Binding Simulations

Hassane Lgaz, Han-Seung Lee, Savaş Kaya, Rachid Salghi, Sobhy M. Ibrahim, Maryam Chafiq, Lahcen Bazzi, Young Gun Ko

Molecules, vol. 28, 2023

Interactions and mechanisms of sulfonium salts with metal interfaces: An in-depth computational exploration of COSMO-RS profiles, quantum chemistry and molecular dynamics on iron, copper, and aluminum

Mouslim Messali, Hassane Lgaz, Saud M. Almutairi, Han-seung Lee, Rachid Salghi

Journal of Molecular Liquids, vol. 392, 2023

First‐principles based theoretical investigation of the adsorption of alkanethiols on the iron surface: A DFT-D3 study

Hassane Lgaz, Han-seung Lee

Journal of Molecular Liquids, vol. 348, 2022

Designing new donors organic compounds with IDIC core for photovoltaic application

Diae Nebbach, Fatima Agda, Tahar Lakhlifi, Mohammed Aziz Ajana, Savas Kaya, Farhan Siddique, Hassane Lgaz, Mohammed Bouachrine

Optik, vol. 262, 2022

Development of QSAR-based (MLR/ANN) predictive models for effective design of pyridazine corrosion inhibitors

Taiwo W. Quadri, Lukman O. Olasunkanmi, Ekemini D. Akpan, Omolola E. Fayemi, Han-Seung Lee, Hassane Lgaz, Chandrabhan Verma, Lei Guo, Savas Kaya, Eno E. Ebenso

Materials Today Communications, vol. 30, 2022

Multilayer perceptron neural network-based QSAR models for the assessment and prediction of corrosion inhibition performances of ionic liquids

Taiwo W. Quadri, Lukman O. Olasunkanmi, Omolola E. Fayemi, Ekemini D. Akpan, Han-Seung Lee, Hassane Lgaz, Chandrabhan Verma, Lei Guo, Savaş Kaya, Eno E. Ebenso

Computational Materials Science, vol. 214, 2022

Predicting protection capacities of pyrimidine-based corrosion inhibitors for mild steel/HCl interface using linear and nonlinear QSPR models

Taiwo W. Quadri, Lukman O. Olasunkanmi, Omolola E. Fayemi, Hassane Lgaz, Omar Dagdag, El-Sayed M. Sherif, Ekemini D. Akpan, Han-Seung Lee, Eno E. Ebenso

Journal of Molecular Modeling, vol. 28, 2022

Computational insights into quinoxaline-based corrosion inhibitors of steel in HCl: Quantum chemical analysis and QSPR-ANN studies

Taiwo W. Quadri, Lukman O. Olasunkanmi, Omolola E. Fayemi, Hassane Lgaz, Omar Dagdag, El-Sayed M. Sherif, Awad A. Alrashdi, Ekemini D. Akpan, Han-Seung Lee, Eno E. Ebenso

Arabian Journal of Chemistry, vol. 15, 2022

Molecular modelling of compounds used for corrosion inhibition studies: a review

Eno E. Ebenso, Chandrabhan Verma, Lukman O. Olasunkanmi, Ekemini D. Akpan, Dakeshwar Kumar Verma, Hassane Lgaz, Lei Guo, Savas Kaya, M.A. Quraishi

Physical Chemistry Chemical Physics, vol. 23, 2021, pp. 19987 – 20027

Computational investigation on interaction mechanism of sulfur mustard adsorption by zeolitic imidazolate frameworks ZIF-8 and ZIF-67: Insights from periodic and cluster DFT calculations

Hassane Lgaz, Han-seung Lee

Journal of Molecular Liquids, vol. 344, 2021

The effect of heterocyclization of 2-mercaptobenzimidazole on its strength of coordination to iron: A dispersion-corrected DFT study

Hassane Lgaz, Han-seung Lee

Applied Surface Science, vol. 567, 2021

Assessing corrosion inhibition characteristics of hydrazone derivatives on mild steel in HCl: Insights from electronic-scale DFT and atomic-scale molecular dynamics

Hassane Lgaz, Rachid Salghi, Sheerin Masroor, Seung-Hyun Kim, Chang Kwon, So Yeon Kim, Yun-Jin Yang, Ill-Min Chung

Journal of Molecular Liquids, vol. 308, 2020

Theoretical insights about inhibition efficiencies of some 8-Hydroxyqionoline derivatives against the corrosion of mild steel

Dilara Özbakır Işın, Nihat Karakuş, Hassane Lgaz, Savaş Kaya, III-Min Chung

Molecular Simulation, vol. 46, 2020, pp. 1398 – 1404

Molecular dynamics and Monte Carlo simulations as powerful tools for study of interfacial adsorption behavior of corrosion inhibitors in aqueous phase: A review

Chandrabhan Verma, H. Lgaz, D.K. Verma, Eno E. Ebenso, I. Bahadur, M.A. Quraishi

Journal of Molecular Liquids, vol. 260, 2018, pp. 99 – 120

Environmental Interfaces

Exploring the biochemical properties and cosmetic potential of camel hump fat: Influence of biological and physiological factors

Zineb Boubal, Layla El Gueddari, Najeeb Ullah, Sanaa Khiri, Walid Janati, Nawal Merghoub, Hassane Lgaz, Abdelbasset Chafik, Michael G. Jacobson, Ezzouhra El maaiden

Food and Humanity, vol. 5, 2025

Valorization of Camel Bioproducts and Wastes: Applications in Cosmetics, Pharmaceuticals, Food, Bioenergy, and Sustainable Economy

Zineb Boubal, Sanaa Khiri, Najeeb Ullah, Hassane Lgaz, Michael G. Jacobson, Ezzouhra Elmaaiden

Waste and Biomass Valorization, 2025

Investigating the impact of heating rates on the kinetic and combustion dynamics of pyrolyzed agricultural biomass

Chaimaa Hadey, Malika Allouch, Ilyasse Loulidi, Abderrahim Kali, Fatima Zahrae Zouhair, Awad A. Alrashdi, Abdelouahed Amar, Maria Jabri, Mohamed Alami, Hassane Lgaz, Fatima Boukhlifi

Biomass Conversion and Biorefinery, vol. 15, 2025, pp. 8843 – 8853

Novel approaches to exploring nutritional potential and applications of residual biomass after essential oil extraction: case study of Ammodaucus leucotrichus

Sanaa Khiri, Ayoub El-Mrabet, Najeeb Ullah, Hamza Targmoussi, Zineb Boubal, Layla El Gueddari, Walid Janati, Abdelbasset Chafik, Nawal Merghoub, Hassane Lgaz, Smail Amalich, Michael G. Jacobson, Ezzouhra El maaiden

Biomass Conversion and Biorefinery, 2025

Transforming essential oil extraction Wastes: Sustainable valorization approaches for agricultural, industrial, and cosmetic applications

Sanaa Khiri, Najeeb Ullah, Zineb Boubal, Walid Janati, Smail Amalich, Hassane Lgaz, Michael G. Jacobsone, Ezzouhra Elmaaiden

Biomass and Bioenergy, vol. 201, 2025

Valorization of residual biomass from essential oil extraction of Ammodaucus leucotrichus: A step towards sustainable cosmetic and pharmaceutical applications

Sanaa Khiri, Ayoub El-Mrabet, Zineb Boubal, Najeeb Ullah, Asmat Ullah, Walid Janati, Layla El Gueddari, Abdelbasset Chafik, Hassane Lgaz, Smail Amalich, Michael G. Jacobson, Ezzouhra El maaiden

Biomass and Bioenergy, vol. 197, 2025

Unraveling the phytochemical complexity and antimicrobial potency of introduced versus native Argania spinosa trees in Eastern Morocco

Salah-Eddine Azizi, Mohammed Dalli, Meryem Idrissi Yahyaoui, Hind Benouda, Abdesalam Asehraou, Abdelbasset Berrichi, Awad A. Alrashdi, Belkheir Hammouti, Hassane Lgaz, Nadia Gseyra

Chemical Papers, vol. 78, 2024, pp. 9223 – 9234

Unveiling the role of transition metal catalysts in low-temperature, liquid-phase isopropanol oxidation

Bouchra Ba Mohammed, Younes Dehmani, Hassane Lgaz, Taibi Lamhasni, Younes Brahmi, Han-seung Lee, Awad A. Alrashdi, Abouarnadasse Sadik, Khalid Yamni

Inorganic Chemistry Communications, vol. 159, 2024

Adsorption removal of phenol by oak wood charcoal activated carbon

Youness Dehmani, Taibi Lamhasni, Abdelkrim Mohsine, Youssef Tahri, Han-Seung Lee, Hassane Lgaz, Awad A. Alrashdi, Sadik Abouarnadasse

Biomass Conversion and Biorefinery, vol. 14, 2024, pp. 8015 – 8027

Characterization and adsorption capacity of four low-cost adsorbents based on coconut, almond, walnut, and peanut shells for copper removal

Abderrahim Kali, Abdelouahed Amar, Ilyasse Loulidi, Maria Jabri, Chaimaa Hadey, Hassane Lgaz, Awad A. Alrashdi, Fatima Boukhlifi

Biomass Conversion and Biorefinery, vol. 14, 2024, pp. 3655 – 3666

Utilization of argan nut shells as a bioresource for efficient malachite green oxalate adsorption

Mohamed Sadoq, Smail Imame, Hafssa Atlas, Mbarka Ouchabi, Abderahim Kali, Badr-Edine Sadoq, Abdelouahed Amar, Ilyasse Loulidi, Maria Jabri, Awad A. Alrashdi, Hassane Lgaz, Mohammed Naciri Bennani, Fatima Boukhlifi

Chemical Papers, vol. 78, 2024, pp. 7525 – 7540

Fermentation process optimization by response surface methodology for bioethanol production from argane pulp hydrolysate using commercial and laboratory scale isolated Saccharomyces cerevisiae yeast

Fatima Zahrae Zouhair, Mohammed Rachid Kabbour, Siham Moussaid, Fatima Ebich, Mohammed Bouksaim, Hassane Lgaz, Youngjae Cho, Azzouz Essamri

Biomass Conversion and Biorefinery, vol. 14, 2024, pp. 16891 – 16898

Unveiling the potency of Silica-Alumina-rich clay in phenol remediation and its repurposing prospects

Abdelouahed Amar, Abderrahim Kali, Ilyasse Loulidi, Youngjae Cho, Mohamed Sadoq, Chaimaa Hadey, Hafssa Atlass, Smail Imame, Maria Jabri, Hassane Lgaz, Fatima Boukhlifi

Inorganic Chemistry Communications, vol. 154, 2023

Multifunctional Cross-Linked Shrimp Waste-Derived Chitosan/MgAl-LDH Composite for Removal of As(V) from Wastewater and Antibacterial Activity

Rachid El Kaim Billah, Zineb Azoubi, Eduardo Alberto López-Maldonado, Hicham Majdoubi, Hassane Lgaz, Eder C. Lima, Anita Shekhawat, Youssef Tamraoui, Mahfoud Agunaou, Abdessadik Soufiane, Ravin Jugade

ACS Omega, vol. 8, 2023, pp. 10051 – 10061

Experimental and theoretical studies on nitrate removal using epichlorohydrin-modified cross-linked chitosan derived from shrimp waste

Rachid EL Kaim Billah, Hassane Lgaz, Daniel Goma Jiménez, Preeti Pal, Balter Trujillo-Navarrete, Mohammadi Ahrouch, Jari S. Algethami, Youness Abdellaoui, Hicham Majdoubi, Awad A. Alrashdi, Mahfoud Agunaou, Abdessadik Soufiane, Eduardo Alberto López-Maldonado

Environmental Science and Pollution Research, vol. 30, 2023, pp. 107772 – 107789

Valorization of Lignocellulosic Wastes Material for Efficient Adsorption of a Cationic Azo Dye and Sludge Recycling as a Reinforcement of Thermoplastic Composite

Maria Jabri, Younes Dehmani, Ilyasse Loulidi, Abderahim Kali, Abdelouahed Amar, Hassane Lgaz, Chaimaa Hadey, Fatima Boukhlifi

Fluids, vol. 8, 2023

Comparative Study on Adsorption of Crystal Violet and Chromium (VI) by Activated Carbon Derived from Spent Coffee Grounds

Ilyasse Loulidi, Maria Jabri, Abdelouahed Amar, Abderahim Kali, Awad A. Alrashdi, Chaimaa Hadey, Mbarka Ouchabi, Palsan Sannasi Abdullah, Hassane Lgaz, Youngjae Cho, Fatima Boukhlifi

Applied Sciences (Switzerland), vol. 13, 2023

An eco-friendly chitosan-diethylaminoethyl cellulose composite: In-depth analysis of lead (II) and arsenic(V) decontamination from water with molecular perspectives

Hicham Majdoubi, Rachid EL Kaim Billah, Md. Aminul Islam, Mazen K. Nazal, Anita Shekhawat, Awad A. Alrashdi, Eduardo Alberto Lopez-Maldonado, Aziz Soulaimani, Youssef Tamraoui, Ravin Jugade, Hassane Lgaz

Journal of Molecular Liquids, vol. 387, 2023

Mechanistic insights into methylene blue removal via olive stone-activated carbon: A study on surface porosity and characterization

Yassine Wafaa, Said Akazdam, Souade Zyade, Maryam Chafiq, Young Gun Ko, Mohammed Chafi, Mohammed Tahiri, Awad A. Alrashdi, Hassane Lgaz

Journal of Saudi Chemical Society, vol. 27, 2023

New low-cost tubular ceramic microfiltration membrane based on natural sand for tangential urban wastewater treatment

Mourad Addich, Noureddine El Baraka, Abdellatif Laknifli, Nabil Saffaj, Abdelilah Fatni, Abdellatif El Hammadi, Awad A. Alrashdi, Hassane Lgaz

Journal of Saudi Chemical Society, vol. 26, 2022

Shellfish waste-derived mesoporous chitosan for impressive removal of arsenic(V) from aqueous solutions: A combined experimental and computational approach

Rachid El Kaim Billah, Md. Aminul Islam, Hassane Lgaz, Eder C. Lima, Youness Abdellaoui, Youness Rakhila, Otman Goudali, Hicham Majdoubi, Awad A. Alrashdi, Mahfoud Agunaou, Abdessadik Soufiane

Arabian Journal of Chemistry, vol. 15, 2022

Green and eco-friendly montmorillonite clay for the removal of Cr(III) metal ion from aqueous environment: Montmorillonite clay for the removal of Cr(III) metal ion from aqueous solutions

H. Essebaai, H. Lgaz, A.A. Alrashdi, A. Habsaoui, A. Lebkiri, S. Marzak, E.H. Rifi

International Journal of Environmental Science and Technology, vol. 19, 2022, pp. 2443 – 2454

Efficient Adsorption Removal of an Anionic Azo Dye by Lignocellulosic Waste Material and Sludge Recycling into Combustible Briquettes

Abderrahim Kali, Abdelouahed Amar, Ilyasse Loulidi, Chaimaa Hadey, Maria Jabri, Awad A. Alrashdi, Hassane Lgaz, Mohamed Sadoq, Abderrazek El-Kordy, Fatima Boukhlifi

Colloids and Interfaces, vol. 6, 2022

Experimental and theoretical evaluation of synthetized cobalt oxide for phenol adsorption: Adsorption isotherms, kinetics, and thermodynamic studies

Adil Lammini, Ali Dehbi, Hind Omari, Kaoutar ELazhari, Smahane Mehanned, Youssera Bengamra, Younes Dehmani, Oukhrib Rachid, Awad A. Alrashdi, Obey Gotore, Abdelaziz Abdellaoui, Hassane Lgaz

Arabian Journal of Chemistry, vol. 15, 2022

Peanut shell from agricultural wastes as a sustainable filler for polyamide biocomposites fabrication

Oumayma Oulidi, Asmae Nakkabi, Fatima Boukhlifi, Mohamed Fahim, Hassane Lgaz, Awad A. Alrashdi, Noureddine Elmoualij

Journal of King Saud University - Science, vol. 34, 2022

Enhanced removal efficiency of NaY zeolite toward phenol from aqueous solution by modification with nickel (Ni-NaY)

B. Ba Mohammed, K. Yamni, N. Tijani, H-S. Lee, Y. Dehmani, H. El Hamdani, A.A. Alrashdi, S. Ramola, T. Belwal, H. Lgaz

Journal of Saudi Chemical Society, vol. 25, 2021

Upgrading the performances of polysulfone/polyetherimide ultrafiltration composite membranes for dyes removal: Experimental and molecular dynamics studies

Said Benkhaya, Hassane Lgaz, Awad A. Alrashdi, Souad M'rabet, Abderrahim El Bachiri, Mohammed Assouag, Ill-Min Chung, Ahmed El Harfi

Journal of Molecular Liquids, vol. 331, 2021

Polysulfone/Polyetherimide Ultrafiltration composite membranes constructed on a three-component Nylon-fiberglass-Nylon support for azo dyes removal: Experimental and molecular dynamics simulations

Said Benkhaya, Hassane Lgaz, Selma Chraibi, Awad A. Alrashdi, Mohamed Rafik, Han-Seung Lee, Ahmed El Harfi

Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol. 625, 2021

Phenol adsorption mechanism on the zinc oxide surface: Experimental, cluster DFT calculations, and molecular dynamics simulations

Younes Dehmani, Hassane Lgaz, Awad A. Alrashdi, Taibi Lamhasni, Sadik Abouarnadasse, Ill-Min Chung

Journal of Molecular Liquids, vol. 324, 2021

Dehydration of bioethanol produced from argane pulp using pervaporation membrane process: Experimental, molecular dynamics and GCMC simulation studies

Fatima Zahrae Zouhair, Mohammed Rachid Kabbour, Fatima Ebich, Aouatif Benali, El haj el Maadoudi, Awad A. Alrashdi, Mohammed Bouksaim, Hassane Lgaz, Azzouz Essamri

Journal of Molecular Liquids, vol. 329, 2021

Removal of phenol from aqueous solution by adsorption onto hematite (α-Fe2O3): Mechanism exploration from both experimental and theoretical studies

Younes Dehmani, Awad A. Alrashdi, Hassane Lgaz, Taibi Lamhasni, Sadik Abouarnadasse, Ill-Min Chung

Arabian Journal of Chemistry, vol. 13, 2020, pp. 5474 – 5486

Adsorptive removal of phenol using faujasite-type Y zeolite: Adsorption isotherms, kinetics and grand canonical Monte Carlo simulation studies

Bouchra Ba Mohammed, Khalid Yamni, Najib Tijani, Awad A. Alrashdi, Hafid Zouihri, Younes Dehmani, Ill-Min Chung, Seung-Hyun Kim, Hassane Lgaz

Journal of Molecular Liquids, vol. 296, 2019

Book Chapters

Ecofriendly Corrosion Inhibition of Steel in Acidic Solution Using Oils and Plants Extracts

M’Hammed Belkhaouda, Hassan Lgaz, Rachid Salghi, Ali Anejjar, Belkheir Hammouti

Corrosion Science: Theoretical and Practical Applications, 2023, pp. 415 – 434

Methods of corrosion measurement: Chemical, electrochemical, surface, and computational

Hassane Lgaz, Karthick Subbiah, Tae Joon Park, Han-Seung Lee

Grafted Biopolymers as Corrosion Inhibitors: Safety, Sustainability, and Efficiency, 2023, pp. 171 – 218

Pharmaceutical drugs as corrosion inhibitors I

Hassane Lgaz, Mustafa R. Al-Hadeethi, Rachid Salghi, Han-Seung Lee

Eco-Friendly Corrosion Inhibitors: Principles, Designing and Applications, 2022, pp. 195 – 210

Chemical medicines as corrosion inhibitors

Mustafa R. Al-Hadeethi, Hassane Lgaz, Abdelkarim Chaouiki, Rachid Salghi, Han-Seung Lee

Organic Corrosion Inhibitors: Synthesis, Characterization, Mechanism, and Applications, 2021, pp. 287 – 314

Computational methods of corrosion monitoring

Hassane Lgaz, Abdelkarim Chaouiki, Mustafa R. Al-Hadeethi, Rachid Salghi, Han-Seung Lee

Organic Corrosion Inhibitors: Synthesis, Characterization, Mechanism, and Applications, 2021, pp. 39 – 57

Computational Methods of Corrosion Inhibition Assessment

Hassane Lgaz, Abdelkarim Chaouiki, Rachida Lamouri, Rachid Salghi, Han-Seung Lee

ACS Symposium Series, vol. 1403, 2021, pp. 87 – 109