Intrinsic band gap in semiconductor oxides and Ti-silicalite: Ab initio and DFT study

Research on Chemical Intermediates

Volumn 30, Issue 1, 2004, Pages 121-132

  Zhanpeisov, N U ^a   Tsujimaru, K ^a   Anpo, M ^a  

^a Osaka Prefecture University   (Japan)

Author keywords

Ab initio; CIS; DFT; Intrinsic band gap; Modified rutile; Ti silicalite

Indexed keywords

CATALYSTS; DOPING (ADDITIVES); ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ION IMPLANTATION; NITROGEN OXIDES; PHOTOLUMINESCENCE; SILICATES; SOLAR ENERGY; VANADIUM; ZEOLITES;

BAND GAPS; CALCULATIONS INCLUDING ONLY SINGLETS (CIS); DENSITY FUNCTIONAL THEORY; EXCITATION ENERGY; INTRINSIC BAND GAP; MODIFIED RUTILE; PHOTOCATALYSTS; RUTILE STRUCTURES; TI-SILICATES;

TITANIUM COMPOUNDS;

EID: 1642297843     PISSN: 09226168     EISSN: None     Source Type: Journal    
DOI: 10.1163/156856704322798106     Document Type: Article

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