Mechanism of thiophene hydrodesulfurization on a Mo3S9 model catalyst. A computational study
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference60 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
5. Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study
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