Art

J-GLOBAL ID：201102288892762035   Reference number：11A1240961

Electronic structure calculation of the catalytic reactions on the surfaces of the metals and oxides

金属および酸化物の表面における触媒反応の電子構造計算

Author (2)： NISHIDATE Kazume (IWATE Univ., Morioka) ,  HASEGAWA Masayuki (IWATE Univ., Morioka)
Material： Activity Report. Materials Design and Characterization Laboratory Supercomputer Center, Institute for Solid State Physics, University of Tokyo  (Activity Report. Supercomputer Center, Materials Design and Characterization Laboratory, Institute for Solid State Physics, University of Tokyo)
Volume： 2010  Page： 78  Publication year： 2011 
JST Material Number： J1494A  Document type： Article
Article type： 短報  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： *catalytic reaction ,  electronic structure ,  *zinc oxide ,  copper ,  titanium ,  magnesium ,  boron ,  *adsorption ,  structural relaxation ,  surface structure ,  potential barrier ,  *surface reaction ,  carbon nanotube ,  compound semiconductor ,  numerical calculation

JST classification (2)： Electron theory of adsorption  (CB12042Y) ,  Catalytic reactions(heterogeneous system)  (CB06100E)

Terms in the title (3)： 酸化物 ,  触媒反応 ,  電子構造計算