Atomistic modeling of electrocatalysis: Are we there yet? N Abidi, KRG Lim, ZW Seh, SN Steinmann Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (3), e1499, 2021 | 117 | 2021 |
Revisiting the Active Sites at the MoS2/H2O Interface via Grand-Canonical DFT: The Role of Water Dissociation N Abidi, A Bonduelle-Skrzypczak, SN Steinmann ACS applied materials & interfaces 12 (28), 31401-31410, 2020 | 42 | 2020 |
How Stable Are 2H-MoS2 Edges under Hydrogen Evolution Reaction Conditions? N Abidi, A Bonduelle-Skrzypczak, SN Steinmann The Journal of Physical Chemistry C 125 (31), 17058-17067, 2021 | 40 | 2021 |
How are transition states modeled in heterogeneous electrocatalysis? N Abidi, SN Steinmann Current Opinion in Electrochemistry 33, 100940, 2022 | 38 | 2022 |
Potential and support-dependent hydrogen evolution reaction activation energies on sulfur vacancies of MoS2 from GC-DFT N Abidi, A Bonduelle-Skrzypczak, SN Steinmann International Journal of Hydrogen Energy 48 (23), 8478-8488, 2023 | 14 | 2023 |
How to dope the basal plane of 2H-MoS2 to boost the hydrogen evolution reaction? N Abidi, A Bonduelle-Skrzypczak, SN Steinmann Electrochimica Acta 439, 141653, 2023 | 13 | 2023 |
An electrostatically embedded QM/MM scheme for electrified interfaces N Abidi, SN Steinmann ACS Applied Materials & Interfaces 15 (20), 25009-25017, 2023 | 11 | 2023 |
Electrochemical Potential-Dependent Stability and Activity of MoS3 during the Hydrogen Evolution Reaction N Abidi, A Sahu, P Raybaud, SN Steinmann ACS Catalysis 13 (23), 15290-15300, 2023 | 7 | 2023 |
Investigating Closed and Open Site Stability of Sn-, Ti-, Zr-, and Hf-Beta Zeolites: A Comprehensive Periodic DFT Study N Abidi, Y Boudjema, C Chizallet, K Larmier The Journal of Physical Chemistry C 128 (20), 8257-8269, 2024 | 2 | 2024 |
Matériau catalytique à base d’un élément du groupe VIB et d’un élément du groupe IVB pour la production d’hydrogène par électrolyse de l’eau A Bonduelle, O Mona, Q Cacciuttolo, SN Steinmann, N Abidi, L Dubau, ... | | 2023 |
GC-DFT Modelling of the Hydrogen Evolution Reaction over MoS2: Substitutional Doping and Potential-Dependent Activation Energies SN Steinmann, N Abidi, A Bonduelle ISE 74th Annual meeting, 2023 | | 2023 |
Atomistic modeling of hydrogen production on MoS2-derived electrocatalysts: the impact of water and electrochemical potential on their stability and activity N Abidi Ecole normale supérieure de lyon-ENS LYON, 2022 | | 2022 |
Modélisation atomistique de la production d'hydrogène sur des électrocatalyseurs dérivés du MoS2: l'impact de l'eau et du potentiel électrochimique sur leur stabilité et activité N Abidi Lyon, École normale supérieure, 2022 | | 2022 |
Revisiting the Active Sites at the MoS₂/H₂O Interface via Grand-Canonical DFT: The Role of Water Dissociation N Abidi, A Bonduelle-Skrzypczak, SN Steinmann | | 2020 |