Density functional theory studies of chemisorption and diffusion properties of Ni and Ni-thiophene complexes on the MoS2 basal plane

Journal of Physical Chemistry B

Volumn 107, Issue 9, 2003, Pages 1988-2000

  Sorescu, Dan C ^a,b   Sholl, David S ^a,c   Cugini, Anthony V ^a  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b University of Pittsburgh   (United States)

^c CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; BINDING ENERGY; BOUNDARY CONDITIONS; CHEMISORPTION; DIFFUSION; MOLYBDENUM COMPOUNDS; NICKEL; SCANNING TUNNELING MICROSCOPY; SULFUR; SURFACE PHENOMENA;

ELECTRONIC MODIFICATION; MOLYBDENUM SULFIDE; SPIN POLARIZED DENSITY FUNCTIONAL THEORY; THIOPHENE;

PROBABILITY DENSITY FUNCTION;

EID: 0037421976     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021251s     Document Type: Article

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