| 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 | 102 | 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 | 39 | 2020 |
| How are transition states modeled in heterogeneous electrocatalysis? N Abidi, SN Steinmann Current Opinion in Electrochemistry 33, 100940, 2022 | 31 | 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 | 29 | 2021 |
| Wiley Interdiscip N Abidi, KRG Lim, ZW Seh, SN Steinmann Rev.: Comput. Mol. Sci 11, e1499, 2021 | 25 | 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 | 9 | 2023 |
| An electrostatically embedded QM/MM scheme for electrified interfaces N Abidi, SN Steinmann ACS Applied Materials & Interfaces 15 (20), 25009-25017, 2023 | 5 | 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 | 4 | 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, 2024 | | 2024 |
| 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 | | 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 |
| Supporting Information: How to Dope the Basal Plane of 2H-MoS 2 to Boost the Hydrogen Evolution Reaction? N Abidi, A Bonduelle-Skrzypczak, SN Steinmann | | |
Stephan SteinmannCNRS, Ecole Normale Supérieure de LyonVerified email at ens-lyon.fr
