N 2 O + CO reaction over Si- and Se-doped graphenes: An ab initio DFT study

Applied Surface Science

Volumn 357, Issue , 2015, Pages 1187-1195

  Gholizadeh, Reza ^a   Yu, Yang Xin ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Carbon monoxide; Doped graphene; First principles calculation; Green catalyst; Nitrous oxide; Transition state

Indexed keywords

ACTIVATION ENERGY; ATOMS; CALCULATIONS; CARBON DIOXIDE; CARBON MONOXIDE; CATALYST ACTIVITY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GREENHOUSE GASES; NITROGEN OXIDES; SELENIUM COMPOUNDS; SILICON COMPOUNDS; VAN DER WAALS FORCES;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); ATMOSPHERIC ENVIRONMENT; CATALYTIC CONVERSION; FIRST-PRINCIPLES CALCULATION; GREEN CATALYSTS; NITROUS OXIDE; TRANSITION STATE; VAN DER WAALS INTERACTIONS;

GRAPHENE;

EID: 84949778228     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.09.163     Document Type: Article

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