CO2 Adsorption and Reactivity on Rutile TiO2(110) in Water: An Ab Initio Molecular Dynamics Study

Journal of Physical Chemistry C

Volumn 121, Issue 19, 2017, Pages 10476-10483

  Klyukin, Konstantin ^a   Alexandrov, Vitaly ^a,b  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; CATALYST SELECTIVITY; MOLECULAR DYNAMICS; MOLECULES; OXIDE MINERALS; REACTION KINETICS; SOLUTIONS; WATER TREATMENT;

AB INITIO MOLECULAR DYNAMICS; CAR-PARRINELLO MOLECULAR-DYNAMICS; COMPETITIVE ADSORPTION; CONVERSION REACTIONS; INTERACTION DYNAMICS; MECHANISM AND KINETICS; METADYNAMICS SIMULATIONS; WATER ENVIRONMENTS;

CARBON DIOXIDE;

EID: 85020880870     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.7b02777     Document Type: Article

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