Density functional theory study of hydrogen sulfide dissociation on bi-metallic Ni–Mo catalysts
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics
Reference46 articles.
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3. The performance of a Ru−Mo sulfide catalyst for H2S decomposition
4. Selectivity driven design of bimetallic ethylene epoxidation catalysts from first principles
5. Construction of a reaction coordinate and a microkinetic model for ethylene epoxidation on silver from DFT calculations and surface science experiments
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1. Entropy of the surface catalytic reaction: Expansion of the advanced H2S paradigm to novel catalytic systems;European Journal of Chemistry;2024-06-30
2. First-principles study of H2S adsorption and dissociation on the Ni(111) and Cl-covered Ni(111) surfaces;Computational and Theoretical Chemistry;2024-01
3. Shift of the H2S paradigm;Journal of Sulfur Chemistry;2022-06-16
4. Computational modeling of green hydrogen generation from photocatalytic H2S splitting: Overview and perspectives;Journal of Photochemistry and Photobiology C: Photochemistry Reviews;2021-12
5. A theoretical study of sulfur poisoning tolerance at the interface of Mo doped Ni/Yttria-Stabilized Zirconia;International Journal of Hydrogen Energy;2021-06
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