Ab initio study on the effects of dopant-defect cluster on the electronic properties of TiO2-based photocatalysts

International Journal of Hydrogen Energy

Volumn 39, Issue 5, 2014, Pages 2049-2055

  Hwa Lee, Anna Shin ^a   Li, Kai ^a   Zhang, Yong Wei ^b   Sha, Zhen Dong ^c   Pan, Hui ^d  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c XI'AN JIAOTONG UNIVERSITY   (China)

^d UNIVERSITY OF MACAU   (Macao)

Author keywords

Defect states; Dopant defect cluster; First principles calculation; Hydrogen generation; Photocatalyst

Indexed keywords

DEFECT FORMATION; DEFECT STATE; DOPANT-DEFECT CLUSTER; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; HYDROGEN GENERATIONS; PHOTOCATALYTIC PERFORMANCE;

CALCULATIONS; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ENERGY GAP; HYDROGEN PRODUCTION; LIGHT ABSORPTION; OXIDE MINERALS; PHOTOCATALYSTS;

TITANIUM DIOXIDE;

EID: 84892372098     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2013.11.090     Document Type: Article

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