Study of γ-Alumina-Supported Hydrotreating Catalyst: I. Adsorption of Bare MoS2 Sheets on γ-Alumina Surfaces

Autor:	Andrei Ionescu, Michel Rajzmann, Jean-Pierre Aycard, Alain Allouche, Raphael Le Gall
Rok vydání:	2003
Předmět:	Materials science Morphology (linguistics) Nanotechnology Surfaces Coatings and Films Catalysis γ alumina chemistry.chemical_compound Adsorption chemistry Chemical engineering Materials Chemistry Physical and Theoretical Chemistry Molybdenum disulfide Hydrodesulfurization
Zdroj:	The Journal of Physical Chemistry B. 107:8490-8497
ISSN:	1520-5207 1520-6106
DOI:	10.1021/jp0343382
Popis:	We herein report on the PW-DFT study of molybdenum disulfide catalyst supported on γ-alumina. An Mo 4 S 8 sheet, in a complete periodical environment, was docked to three surfaces of alumina. We found that the alumina surface controlled the orientation and the morphology of MoS 2 sheets. The results show that for all alumina surfaces the Mo-edge- and Mo-S-edge-adsorbed MoS 2 sheets are the most stable configurations.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6709c3fa9e2dbd043ba55d7d91471f67 https://doi.org/10.1021/jp0343382 Zobrazit plný text záznamu