First principles study on the adsorption of CO2 and H 2O on the K2CO3 (001) surface

Surface Science

Volumn 609, Issue , 2013, Pages 140-146

  Gao, Hongwei ^a,b   Pishney, Stephen ^a   Janik, Michael J ^a  

^a The Pennsylvania State University   (United States)

^b WENZHOU MEDICAL UNIVERSITY   (China)

Author keywords

Adsorption; CO2 capture; DFT; Potassium bicarbonate; Potassium carbonate

Indexed keywords

AB INITIO THERMODYNAMICS; ADSORPTION ENERGIES; CO-ADSORPTION; DENSITY FUNCTIONAL THEORY METHODS; DFT; FIRST-PRINCIPLES STUDY; LOW INDEX PLANE; POTASSIUM BICARBONATE; STRUCTURE AND PROPERTIES;

ADSORPTION; DENSITY FUNCTIONAL THEORY; INTERFACIAL ENERGY; POTASH; POTASSIUM; THERMODYNAMICS;

CARBON DIOXIDE;

EID: 84873058751     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2012.11.014     Document Type: Article

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