Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations
- 12 May 1999
- journal article
- Published by Elsevier in Catalysis Today
- Vol. 50 (3-4), 629-636
- https://doi.org/10.1016/s0920-5861(98)00497-0
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Ab initiodensity functional studies of transition-metal sulphides: I. Crystal structure and cohesive propertiesJournal of Physics: Condensed Matter, 1997
- Ab initiodensity functional studies of transition-metal sulphides: II. Electronic structureJournal of Physics: Condensed Matter, 1997
- Ab initiocalculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentialsPhysical Review B, 1994
- Classification of chemical bonds based on topological analysis of electron localization functionsNature, 1994
- Ab initiomolecular dynamics for liquid metalsPhysical Review B, 1993
- Soft self-consistent pseudopotentials in a generalized eigenvalue formalismPhysical Review B, 1990
- Catalysis by transition metal sulfides: A theoretical and experimental study of the relation between the synergic systems and the binary transition metal sulfidesJournal of Catalysis, 1986
- Catalysis by transition metal sulfides: The relation between calculated electronic trends and HDS activityJournal of Catalysis, 1984
- Characterization of the structures and active sites in sulfided Co$z.sbnd;Mo/Al2O3 and Ni$z.sbnd;Mo/Al2O3 catalysts by NO chemisorptionJournal of Catalysis, 1983
- Hydrodesulfurization catalysis by transition metal sulfidesJournal of Catalysis, 1981