Simulating gold's structure-dependent reactivity: Nonlocal density functional theory studies of hydrogen activation by gold clusters, nanowires, and surfaces

Journal of Physical Chemistry C

Volumn 118, Issue 29, 2014, Pages 15693-15704

  Determan, John J ^a   Moncho, Salvador ^b   Brothers, Edward N ^b   Janesko, Benjamin G ^a  

^a TEXAS CHRISTIAN UNIVERSITY   (United States)

^b TEXAS A AND M UNIVERSITY AT QATAR   (Qatar)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DISSOCIATION; ELECTRONIC STRUCTURE; GOLD; NANOWIRES;

COORDINATION NUMBER; DISSOCIATION BARRIER; EXCHANGE-CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; GOLD NANOSTRUCTURES; NON-LOCAL DENSITY FUNCTIONAL THEORIES; QUASI-ONE-DIMENSIONAL; STRUCTURE-DEPENDENT REACTIVITY;

GOLD COMPOUNDS;

EID: 84905046565     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5025922     Document Type: Article

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