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 | 83 | 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 | 34 | 2020 |
How are transition states modeled in heterogeneous electrocatalysis? N Abidi, SN Steinmann Current Opinion in Electrochemistry 33, 100940, 2022 | 20 | 2022 |
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 | 19 | 2021 |
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 | 2 | 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 | 1 | 2023 |
An Electrostatically Embedded QM/MM Scheme for Electrified Interfaces N Abidi, SN Steinmann ACS Applied Materials & Interfaces, 2023 | | 2023 |
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 |