Unusual metallic microporous boron nitride networks

Journal of Physical Chemistry Letters

Volumn 4, Issue 20, 2013, Pages 3484-3488

  Dai, Jun ^a   Wu, Xiaojun ^b,c   Yang, Jinlong ^c   Zeng, Xiao Cheng ^a,c  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b University of Science and Technology of China   (China)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

anisotropic metallicity; global structure search; large surface areas; metallic boron nitride network

Indexed keywords

BORN-OPPENHEIMER MOLECULAR DYNAMICS; FIRST PRINCIPLES DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; GLOBAL STRUCTURE; LARGE SURFACE AREA; METALLICITIES; MICRO-POROUS STRUCTURE; ORGANIC MOLECULE ADSORPTION; PREFERENTIAL ADSORPTION;

ADSORPTION; ASTROPHYSICS; BORON NITRIDE; CALCULATIONS; CHEMICAL BONDS; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; PARTICLE SWARM OPTIMIZATION (PSO); SPECTRUM ANALYSIS;

MICROPOROSITY;

EID: 84886017142     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4018877     Document Type: Article

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