Revisiting the Active Sites at the MoS2/H2O Interface via Grand-Canonical DFT: The Role of Water Dissociation
Author:
Affiliation:
1. Univ Lyon, Ens de Lyon, CNRS UMR 5182, Université Claude Bernard Lyon 1, Laboratoire de Chimie, F69342 Lyon, France
2. IFP Energies nouvelles, Rond-point de l’échangeur de Solaize, 69360 Solaize, France
Funder
IFP Energies Nouvelles
R?gion Auvergne-Rh?ne-Alpes
Publisher
American Chemical Society (ACS)
Subject
General Materials Science
Link
https://pubs.acs.org/doi/pdf/10.1021/acsami.0c06489
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