Understanding the stable boron clusters: A bond model and first-principles calculations based on high-throughput screening

Journal of Chemical Physics

Volumn 142, Issue 21, 2015, Pages

  Xu, Shao Gang ^a   Zhao, Yu Jun ^a   Liao, Ji Hai ^a   Yang, Xiao Bao ^a  

^a SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BORON; ELECTRONIC PROPERTIES; THROUGHPUT; VACANCIES;

BOND MODELS; BORON CLUSTERS; CONCISE MODEL; ELECTRON DELOCALIZATION; FIRST-PRINCIPLES CALCULATION; HIGH THROUGHPUT SCREENING; PLANAR CLUSTERS; TRIANGULAR LATTICE;

CALCULATIONS;

EID: 84930965981     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4922059     Document Type: Article

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