DFT investigation of MoS2 nanoclusters used as desulfurization catalysts

International Journal of Quantum Chemistry

Volumn 109, Issue 15, 2009, Pages 3570-3582

  Mcbride, Kendra L ^a   Head, John D ^a  

^a UNIVERSITY OF HAWAII   (United States)

Author keywords

Cluster structure; Density functional calculations; Desulfurization catalysts; Electronic structure of MoS2 clusters; Scanning tunneling microscopy; Simulated STM

Indexed keywords

ATOMIC SCALE; CATALYTIC ACTIVITY; CLUSTER STRUCTURE; DEGREE OF SYMMETRY; DENSITY-FUNCTIONAL CALCULATIONS; DFT CALCULATION; MAGIC CLUSTERS; OPTIMIZED STRUCTURES; PLANE WAVE; RELATIVE ENERGIES; SCANNING TUNNELING MICROSCOPY (STM); SINGLE LAYER; STM IMAGES; TRIANGULAR SHAPES; WORKING CONDITIONS;

BIOLOGY; CATALYSIS; CATALYST ACTIVITY; DESULFURIZATION; ELECTROCHEMICAL SENSORS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FOSSIL FUELS; MOLYBDENUM; MOLYBDENUM COMPOUNDS; NANOCLUSTERS; PETROLEUM INDUSTRY; PETROLEUM REFINERIES; PROBABILITY DENSITY FUNCTION; SCANNING; SULFUR; SULFUR COMPOUNDS; WIND TUNNELS;

SCANNING TUNNELING MICROSCOPY;

EID: 73049098044     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22328     Document Type: Conference Paper

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