First principle study to correlate location and activity of ruthenium oxide incorporated in alkali-metal hexatitanates

Journal of Physical Chemistry B

Volumn 105, Issue 17, 2001, Pages 3463-3469

  Chatterjee, Abhijit ^a   Hayashi, Hirotnichi ^a   Iwasaki, Takashi ^a  

^a TOHOKU NATL INDUST RES INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

HEXATITANATES; PHOTOCATALYTIC ACTIVITY; RUTHENIUM OXIDE; SOFTWARE PACKAGE CASTEP;

ALKALI METALS; BINDING ENERGY; COMPUTER SIMULATION; CRYSTAL STRUCTURE; ELECTRON TUNNELING; ELECTRONIC DENSITY OF STATES; PHOTOCATALYSIS; POSITIVE IONS;

RUTHENIUM COMPOUNDS;

EID: 0037013354     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0040188     Document Type: Article

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