DFT investigation of MoS2 nanoclusters used as desulfurization catalysts
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.22328/fullpdf
Reference31 articles.
1. An overview of new approaches to deep desulfurization for ultra-clean gasoline, diesel fuel and jet fuel
2. Catalytic Properties of Single Layers of Transition Metal Sulfide Catalytic Materials
3. Size-dependent structure of MoS2 nanocrystals
4. Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites
5. Theoretical Study of the MoS2 (100) Surface: A Chemical Potential Analysis of Sulfur and Hydrogen Coverage
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1. Density Functional Theory Study of S-Edge Structures, Thiophene Adsorption, and Hydrodesulfurization Mechanisms on Triangular MoS2 Nanoclusters;Catalysis Letters;2023-07-27
2. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology;Applied Surface Science;2022-12
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4. Effect of valley, spin, and band nesting on the electronic properties of gated quantum dots in a single layer of transition metal dichalcogenides;Physical Review B;2020-01-02
5. Impact of diverse active sites on MoS2 catalyst: Competition on active site formation and selectivity of thiophene hydrodesulfurization reaction;Molecular Catalysis;2019-02
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