Theoretical investigation of CO adsorption on TM-doped (MgO) 12 (TM = Ni, Pd, Pt) nanotubes

Applied Surface Science

Volumn 258, Issue 4, 2011, Pages 1429-1436

  Yang, Mingxia ^a   Zhang, Yonghong ^b   Huang, Shiping ^a   Liu, Hui ^a   Wang, Peng ^c   Tian, Huiping ^c  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b TIANJIN POLYTECHNIC UNIVERSITY   (China)

^c RESEARCH INSTITUTE OF PETROLEUM PROCESSING   (China)

Author keywords

Chemisorption; CO adsorption; Density functional theory; Electronic properties; Vibrational frequencies

Indexed keywords

ADSORPTION; ATOMS; BOND LENGTH; CHARGE TRANSFER; CHEMISORPTION; ELECTRONIC PROPERTIES; MAGNESIA; NANOTUBES; NICKEL COMPOUNDS; PALLADIUM COMPOUNDS; VIBRATIONAL SPECTRA; YARN;

ADSORPTION ENERGIES; C ATOMS; CALCULATION RESULTS; CO ADSORPTION; CO MOLECULE; NUCLEOPHILIC REACTIVITY; THEORETICAL INVESTIGATIONS; TM-DOPED;

DENSITY FUNCTIONAL THEORY;

EID: 81555228662     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2011.09.097     Document Type: Article

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