Michaël Badawi (M Badawi, Michael Badawi)

ResearcherID Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 40

Top Venues

Physical chemistry chemical physics : PCCP

Communications chemistry

The Journal of chemical physics

ACS applied energy materials

University of Lorraine

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Lorraine

France

Associate Professor :: Laboratoire de Physique et Chimie Théoriques

Publications

An T Ta, Ayoub Daouli, R Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G Hennig, Hans-Conrad Zur Loye, Michaël Badawi, Simon R Phillpot
Incorporating solvent effects in DFT: insights from cation exchange in faujasites. Physical chemistry chemical physics : PCCP (2024)
Mahesh M Shanbhag, Nagaraj P Shetti, Ayoub Daouli, Mallikarjuna N Nadagouda, Michaël Badawi, Tejraj M Aminabhavi
Detection of Perfluorooctanoic and Perfluorodecanoic Acids on a Graphene-Based Electrochemical Sensor Aided by Computational Simulations. Langmuir : the ACS journal of surfaces and colloids (2024)
Mounir Ould-Mohamed, Tarik Ouahrani, Reda Boufatah, Ángel Morales-García, Ruth Franco, Michaël Badawi, Daniel Errandonea
Janus ScYCBr 2 MXene as a Promising Thermoelectric Material. ACS applied energy materials 7 (15) (2024)
Wilfried G Kanhounnon, Saber Gueddida, Simplice Koudjina, Frédéric Richard, Guy Y S Atohoun, Jean-Francois Paul, Sébastien Lebègue, Michaël Badawi
Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS 2 . RSC advances 14 (31) (2024)
Mounir Ould-Mohamed, Tarik Ouahrani, Reda Boufatah, Ángel Morales-García, Ruth Franco, Michaël Badawi, Daniel Errandonea
Janus ScYCBr 2 MXene as a Promising Thermoelectric Material. ACS applied energy materials 7 (15) (2024)
Wilfried G Kanhounnon, Saber Gueddida, Simplice Koudjina, Frédéric Richard, Guy Y S Atohoun, Jean-Francois Paul, Sébastien Lebègue, Michaël Badawi
Theoretical study of the catalytic hydrodeoxygenation of furan, methylfuran and benzofurane on MoS 2 . RSC advances 14 (31) (2024)
Mounir Ould-Mohamed, Tarik Ouahrani, Reda Boufatah, Ángel Morales-García, Ruth Franco, Michaël Badawi, Daniel Errandonea
Janus ScYCBr 2 MXene as a Promising Thermoelectric Material. ACS applied energy materials 7 (15) (2024)
An Sofie Narmon, Lilliana M Jenisch, Jérôme Rey, Ibrahim Khalil, Michaël Badawi, Michiel Dusselier
Monothiolactide, a New Monomer for the Synthesis of Recyclable, Alternating Ester-Thioester Polymers. ChemSusChem (2024)
An T Ta, Ayoub Daouli, R Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agnès Grandjean, Richard G Hennig, Hans-Conrad Zur Loye, Michaël Badawi, Simon R Phillpot
Incorporating solvent effects in DFT: insights from cation exchange in faujasites. Physical chemistry chemical physics : PCCP 26 (20) (2024)
K Boukair, J Marcos Salazar, G Weber, Michaël Badawi, S Ouaskit, J-M Simon
Toward the development of sensors for lung cancer: The adsorption of 1-propanol on hydrophobic zeolites. The Journal of chemical physics 159 (21) (2023)
Sajjad Ghojavand, Eddy Dib, Jérôme Rey, Ayoub Daouli, Edwin B Clatworthy, Philippe Bazin, Valérie Ruaux, Michaël Badawi, Svetlana Mintova
Interplay between alkali-metal cations and silanol sites in nanosized CHA zeolite and implications for CO 2 adsorption. Communications chemistry 6 (1) (2023)
L Bendaoudi, Tarik Ouahrani, Ayoub Daouli, Benali Rerbal, Boufatah M Reda, Ángel Morales-García, R Franco, Z Bedrane, Michaël Badawi, Daniel Errandonea
Electronic and electrocatalytic properties of PbTiO 3 : unveiling the effect of strain and oxygen vacancy. Dalton transactions (Cambridge, England : 2003) (2023)
Sajjad Ghojavand, Eddy Dib, Jérôme Rey, Ayoub Daouli, Edwin B Clatworthy, Philippe Bazin, Valérie Ruaux, Michaël Badawi, Svetlana Mintova
Interplay between alkali-metal cations and silanol sites in nanosized CHA zeolite and implications for CO 2 adsorption. Communications chemistry 6 (1) (2023)
Ayoub Daouli, Jérôme Rey, El Hassane Lahrar, Valentin Valtchev, Michaël Badawi, Rémy Guillet-Nicolas
Ab Initio Screening of Divalent Cations for CH 4 , CO 2 , H 2 , and N 2 Separations in Chabazite Zeolite. Langmuir : the ACS journal of surfaces and colloids (2023)
Sajjad Ghojavand, Eddy Dib, Jérôme Rey, Ayoub Daouli, Edwin B Clatworthy, Philippe Bazin, Valérie Ruaux, Michaël Badawi, Svetlana Mintova
Interplay between alkali-metal cations and silanol sites in nanosized CHA zeolite and implications for CO 2 adsorption. Communications chemistry 6 (1) (2023)
Ahmed El Hamdaoui, El Mehdi Ghardi, Achraf Atila, Hicham Jabraoui, Michaël Badawi, Abdellatif Hasnaoui, Said Ouaskit
The boson peak in silicate glasses: insight from molecular dynamics. Physical chemistry chemical physics : PCCP (2023)
Kazem Zhour, Ayoub Daouli, Andrei Postnikov, Abdellatif Hasnaoui, Michaël Badawi
Potential of nanostructured carbon materials for iodine detection in realistic environments revealed by first-principles calculations. Physical chemistry chemical physics : PCCP (2023)
Chewki Ougherb, Tarik Ouahrani, Michaël Badawi, Ángel Morales-García
Effect of the sulfur termination on the properties of Hf 2 CO 2 MXene. Physical chemistry chemical physics : PCCP 24 (12) (2022)
Tarek Ayadi, Sébastien Lebègue, Michaël Badawi
Ab initio molecular dynamics investigation of the co-adsorption of iodine species with CO and H 2 O in silver-exchanged chabazite. Physical chemistry chemical physics : PCCP 24 (40) (2022)
Ayoub Daouli, Etienne Paul Hessou, Hubert Monnier, Marie-Antoinette Dziurla, Abdellatif Hasnaoui, Guillaume Maurin, Michaël Badawi
Adsorption of NO, NO 2 and H 2 O in divalent cation faujasite type zeolites: a density functional theory screening approach. Physical chemistry chemical physics : PCCP 24 (25) (2022)
Basile Herzog, Maurício Chagas da Silva, Bastien Casier, Michaël Badawi, Fabien Pascale, Tomáš Bučko, Sébastien Lebègue, Dario Rocca
Assessing the Accuracy of Machine Learning Thermodynamic Perturbation Theory: Density Functional Theory and Beyond. Journal of chemical theory and computation 18 (3) (2022)
Tarik Ouahrani, Ayoub Daouli, Michaël Badawi, Loubna Bendaoudi, Ángel Morales-García, Daniel Errandonea
Understanding the thermodynamic, dynamic, bonding, and electrocatalytic properties of low-dimensional MgPSe 3 . Dalton transactions (Cambridge, England : 2003) 51 (25) (2022)
Amina Bouheddadj, Tarik Ouahrani, Wilfried G Kanhounnon, Boufatah M Reda, Sumeya Bedrane, Michaël Badawi, Ángel Morales-García
Low-dimensional HfS2 as SO2 adsorbent and gas sensor: effect of water and sulfur vacancies. Physical chemistry chemical physics : PCCP 23 (41) (2021)
Lucie Affoue Bede, Alain Kouassi Koffi, Fred-Lawson Ekozias Digre Beke, Abderrahmane Semmeq, Michaël Badawi
Investigation of tautomerism of 1,3,5-triazine derivative, stability, and acidity of its tautomers from density functional theory. Journal of molecular modeling 27 (5) (2021)
Huy Truong Nguyen, Nhat Thao Vuong Bui, Wilfried G Kanhounnon, Kim Long Vu Huynh, Tran-Van-Anh Nguyen, Hien Minh Nguyen, Minh Huy Do, Michaël Badawi, Ut Dong Thach
Co-precipitation polymerization of dual functional monomers and polystyrene- co -divinylbenzene for ciprofloxacin imprinted polymer preparation. RSC advances 11 (54) (2021)
Etienne Paul Hessou, Lucie A Bédé, Hicham Jabraoui, Abderrahmane Semmeq, Michaël Badawi, Valentin Valtchev
Adsorption of Toluene and Water over Cationic-Exchanged Y Zeolites: A DFT Exploration. Molecules (Basel, Switzerland) 26 (18) (2021)
El Mehdi Ghardi, Hicham Jabraoui, Michaël Badawi, Abdellatif Hasnaoui, Said Ouaskit, Yann Vaills
Structure-Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics Simulations. The journal of physical chemistry. B 124 (41) (2020)
Abderrahmane Semmeq, Michaël Badawi, Abdellatif Hasnaoui, Said Ouaskit, Antonio Monari
DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (49) (2020)
Michael Fischer, Won June Kim, Michaël Badawi, Sébastien Lebègue
Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO2 and AlPO4 frameworks. The Journal of chemical physics 150 (9) (2019)
Etienne Paul Hessou, Miguel Ponce-Vargas, Jean-Baptiste Mensah, Frederik Tielens, Juan Carlos Santos, Michaël Badawi
Dibenzyl Disulfide Adsorption on Cationic Exchanged Faujasites: A DFT Study. Nanomaterials (Basel, Switzerland) 9 (5) (2019)
Yann Foucaud, Michaël Badawi, Lev O Filippov, Odile Barres, Inna V Filippova, Sébastien Lebègue
Synergistic adsorptions of Na2CO3 and Na2SiO3 on calcium minerals revealed by spectroscopic and ab initio molecular dynamics studies. Chemical science 10 (43) (2019)
Wilfried G Kanhounnon, Urbain A Kuevi, Gaston A Kpotin, Simplice Koudjina, Alice Kpota Houngue, Guy Y S Atohoun, Jean-Baptiste Mensah, Michaël Badawi
Quantum mechanistic study of furan and 2-methylfuran hydrodeoxygenation on molybdenum and tungsten sulfide clusters. Journal of molecular modeling 25 (8) (2019)
Bilal Chehaibou, Michaël Badawi, Tomáš Bučko, Timur Bazhirov, Dario Rocca
Computing RPA Adsorption Enthalpies by Machine Learning Thermodynamic Perturbation Theory. Journal of chemical theory and computation 15 (11) (2019)
Pit Losch, Hrishikesh R Joshi, Olena Vozniuk, Anna Grünert, Cristina Ochoa-Hernández, Hicham Jabraoui, Michaël Badawi, Wolfgang Schmidt
Proton Mobility, Intrinsic Acid Strength, and Acid Site Location in Zeolites Revealed by Varying Temperature Infrared Spectroscopy and Density Functional Theory Studies. Journal of the American Chemical Society 140 (50) (2018)
Juliana Srour, Michaël Badawi, Fouad El Haj Hassan, Andrei Postnikov
Comparative study of structural and electronic properties of GaSe and InSe polytypes. The Journal of chemical physics 149 (5) (2018)
Hicham Jabraoui, M Malki, A Hasnaoui, Michaël Badawi, S Ouaskit, S Lebègue, Y Vaills
Thermodynamic and structural properties of binary calcium silicate glasses: insights from molecular dynamics. Physical chemistry chemical physics : PCCP 19 (29) (2018)
Siwar Chibani, Mouheb Chebbi, Sébastien Lebègue, Laurent Cantrel, Michaël Badawi
Impact of the Si/Al ratio on the selective capture of iodine compounds in silver-mordenite: a periodic DFT study. Physical chemistry chemical physics : PCCP 18 (36) (2018)
Yann Foucaud, Sébastien Lebègue, Lev O Filippov, Inna V Filippova, Michaël Badawi
Molecular Insight into Fatty Acid Adsorption on Bare and Hydrated (111) Fluorite Surface. The journal of physical chemistry. B 122 (51) (2018)
Yann Foucaud, Michaël Badawi, Lev O Filippov, Inna V Filippova, Sébastien Lebègue
Surface Properties of Fluorite in Presence of Water: An Atomistic Investigation. The journal of physical chemistry. B 122 (26) (2018)
Siwar Chibani, Israa Medlej, Sébastien Lebègue, János G Ángyán, Laurent Cantrel, Michaël Badawi
Performance of CuII -, PbII -, and HgII -Exchanged Mordenite in the Adsorption of I2 , ICH3 , H2 O, CO, ClCH3 , and Cl2 : A Density Functional Study. Chemphyschem : a European journal of chemical physics and physical chemistry 18 (12) (2017)

Michaël Badawi.css-eqlu8i{font-size:small;padding-left:4px;} (M Badawi, Michael Badawi)

Publication Activity (10 Years)

Top Topics

Top Venues

Michaël Badawi (M Badawi, Michael Badawi)