Vacancy Formation on MoS2 Hydrodesulfurization Catalyst: DFT Study of the Mechanism
Author:
Affiliation:
1. Laboratoire de Catalyze de Lille, USTL/CNRS Bat C3, 59655 Villeneuve d'Ascq Cedex, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp027668f
Reference47 articles.
1. Theoretical Study of the MoS2 (100) Surface: A Chemical Potential Analysis of Sulfur and Hydrogen Coverage. 2. Effect of the Total Pressure on Surface Stability
2. Theoretical Study of the MoS2 (100) Surface: A Chemical Potential Analysis of Sulfur and Hydrogen Coverage
3. Hydrogen Activation on Mo-Based Sulfide Catalysts, a Periodic DFT Study
4. Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites
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