A comparative DFT study of the catalytic activity of the 3d transition metal sulphides surfaces

Surface Science

Volumn 518, Issue 1-2, 2002, Pages 163-173

  Gomez Balderas R ^a,c   Oviedo Roa, R ^b   Martinez Magadan J M ^b,c   Amador, C ^a   Dixon, D A ^d  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

^c UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

Catalysis; Sulphides

Indexed keywords

CATALYST ACTIVITY; CRYSTAL STRUCTURE; DESULFURIZATION; ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION; TRANSITION METAL COMPOUNDS;

HYDRODESULFURIZATION;

SURFACE PROPERTIES;

EID: 0037057536     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(02)02123-4     Document Type: Article

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