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Volumn 257, Issue 7, 2011, Pages 2633-2636

Adsorption of CO, NH 3 and O 2 on Fe site of La 0.875 Sr 0.125 FeO 3 (0 1 0) surface by density function theory calculation

(6) Sun, Lihui a Qin, Hongwei a Gao, Feng a Cao, Ensi a Fan, Kai a Hu, Jifan a

a SHANDONG UNIVERSITY (China)

Author keywords

Adsorption energy; Charge transfer; Density functional theory (DFT); Sr doped

Indexed keywords

ADSORPTION; CHARGE TRANSFER; IRON; LANTHANUM COMPOUNDS; MOLECULES; PROBABILITY DENSITY FUNCTION; STRONTIUM COMPOUNDS;

ADSORPTION ENERGIES; DENSITY FUNCTION THEORY CALCULATIONS; GAS MOLECULES; GENERALIZED GRADIENT APPROXIMATIONS; MOLECULE ADSORPTIONS; OXYGEN MOLECULE; SPIN-POLARIZED; SR DOPED;

DENSITY FUNCTIONAL THEORY;

EID: 79251598645 PISSN: 01694332 EISSN: None Source Type: Journal
DOI: 10.1016/j.apsusc.2010.10.034 Document Type: Article

Times cited : (12)

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