First-principles study of CO 2 adsorption on KNTN (0 0 1) surfaces

Applied Surface Science

Volumn 308, Issue , 2014, Pages 269-274

  Shen, Yanqing ^a   Wang, Wenhan ^a   Wang, Xiaoou ^a   Zhou, Zhongxiang ^a   Fei, Weidong ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Band gap; First principles; KNTN; Perovskites

Indexed keywords

ADSORPTION; CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; NIOBIUM COMPOUNDS; PEROVSKITE; TANTALUM COMPOUNDS;

ADSORPTION OF CO2; ADSORPTION SITE; CO2 ADSORPTION; DENSITY REDISTRIBUTION; FIRST PRINCIPLES; FIRST-PRINCIPLES STUDY; KNTN; SURFACE TERMINATION;

SODIUM COMPOUNDS;

EID: 84901697051     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.04.151     Document Type: Article

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