A Comparative Density Functional Study of Hydrogen Peroxide Adsorption and Activation on the Graphene Surface Doped with N, B, S, Pd, Pt, Au, Ag, and Cu Atoms

Journal of Physical Chemistry C

Volumn 120, Issue 36, 2016, Pages 20149-20157

  Düzenli, Derya ^a,b  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b GENERAL DIRECTORATE OF MINERAL RESEARCH AND EXPLORATION   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; CALCULATIONS; CARBON; COPPER; DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; HYDROGEN PEROXIDE; MOLECULES; OXIDATION; PALLADIUM; PEROXIDES; PLATINUM; SILVER; SULFUR;

ADSORPTION SITE; DENSITY FUNCTIONAL THEORY METHODS; DENSITY-FUNCTIONAL STUDY; FIRST-PRINCIPLES CALCULATION; ORBITAL ENERGY; REACTIVE OXYGEN SPECIES; SURFACE BEHAVIOR; WATER MOLECULE;

GRAPHENE;

EID: 84987950670     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.6b06131     Document Type: Article

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