Prati
Nawras Abidi
Nawras Abidi
Post doc at IFPEN
Potvrđena adresa e-pošte na ifpen.fr
Naslov
Citirano
Citirano
Godina
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
1172021
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
422020
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
402021
How are transition states modeled in heterogeneous electrocatalysis?
N Abidi, SN Steinmann
Current Opinion in Electrochemistry 33, 100940, 2022
382022
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
142023
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
132023
An electrostatically embedded QM/MM scheme for electrified interfaces
N Abidi, SN Steinmann
ACS Applied Materials & Interfaces 15 (20), 25009-25017, 2023
112023
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
72023
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
22024
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
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