Study on the atomic and electronic structures of BiOCl{001} surface using first principles

Wuli Xuebao/Acta Physica Sinica

Volumn 62, Issue 12, 2013, Pages

  Li, Guo Qi ^a   Zhang, Xiao Chao ^a   Ding, Guang Yue ^a   Fan, Cai Mei ^a   Liang, Zhen Hai ^a   Han, Pei De ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

BiOCl 001 surface; First principles; Surface energy; Surface relaxation

Indexed keywords

CL SURFACE; DENSITIES OF STATE; FIRST-PRINCIPLES; GROWTH PROCESS; LOWER ENERGIES; MINIMUM SURFACES; PHOTOCATALYTIC MATERIALS; REACTION ACTIVITY;

ELECTRONIC STRUCTURE; ENERGY GAP; INTERFACIAL ENERGY; PHOTOREACTIVITY; SURFACE RELAXATION; SURFACE STATES;

SURFACES;

EID: 84880087316     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: 10.7498/aps.62.127301     Document Type: Article

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