First-principles study of electronic structures and photocatalytic activity of low-Miller-index surfaces of ZnO

Journal of Applied Physics

Volumn 113, Issue 3, 2013, Pages

  Zhang, Haifeng ^a   Lu, Shixiang ^a   Xu, Wenguo ^a   Yuan, Feng ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION EDGES; ABSORPTION PEAKS; ABSORPTION REGION; DOUBLE LAYERS; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; LEVEL SHIFT; LOW-EXCITATION ENERGY; N-TYPE CONDUCTION; NON-POLAR; P-TYPE CONDUCTION; PHOTOCATALYTIC ACTIVITIES; POLAR SURFACES; RED-SHIFT PHENOMENA; RELAXATION BEHAVIORS; STRUCTURE OPTIMIZATION; SURFACE BONDS; UV REGION; UV-LIGHT; VALENCE-BAND MAXIMUMS; ZNO;

CALCULATIONS; ELECTRONIC STRUCTURE; FERMI LEVEL; OPTICAL PROPERTIES; PHOTOCATALYSIS; ZINC OXIDE;

ZINC;

EID: 84872867418     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4775766     Document Type: Article

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