Interactive CO2 adsorption on the BaO (100) surface: A density functional theory (DFT) study

Bulletin of the Korean Chemical Society

Volumn 31, Issue 8, 2010, Pages 2219-2222

  Kwon, Soonchul ^a,b   Hwang, Jung Bae ^b,c   Lee, Hanlim ^d   Lee, Wang Ro ^e  

^a Georgia Institute of Technology   (United States)

^b Spectro   (South Korea)

^c Chonnam National University   (South Korea)

^d Yonsei University   (South Korea)

^e Chonbuk National University   (South Korea)

Author keywords

Adsorption; BaO; CO2; Density functional theory

Indexed keywords

A-DENSITY; ADSORPTION ENERGIES; BAO; BARIUM OXIDES; CHEMICAL ACTIVITIES; CO2; DENSITY FUNCTIONALS; MOLECULAR REACTIONS; OXYGEN SITE; QUANTUM CALCULATION; STABLE SURFACES;

ADSORPTION; BARIUM; CHEMISORPTION; MOLECULES; OXYGEN;

DENSITY FUNCTIONAL THEORY;

EID: 77956131674     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2010.31.8.2219     Document Type: Article

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