First-principles study of CO and NO adsorption on transition metals doped (8,0) boron nitride nanotube

Applied Surface Science

Volumn 258, Issue 17, 2012, Pages 6391-6397

  Xie, You ^a,b   Huo, Yi Ping ^b   Zhang, Jian Min ^b  

^a XI'AN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SHAANXI NORMAL UNIVERSITY   (China)

Author keywords

Boron nitride nanotube; Electronic structure; First principles; Gas adsorption; Transition metal doping

Indexed keywords

BORON NITRIDE; CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GAS ADSORPTION; III-V SEMICONDUCTORS; MAGNETIC MOMENTS; MOLECULES; NANOTUBES; NITRIDES; STRUCTURAL METALS; YARN;

BORON NITRIDE NANOTUBES; CHEMICAL INTERACTIONS; FIRST PRINCIPLE CALCULATIONS; FIRST PRINCIPLES; FIRST-PRINCIPLES STUDY; MAGNETIC AND ELECTRONIC PROPERTIES; NANODEVICE APPLICATIONS; TRANSITION METAL DOPING;

TRANSITION METALS;

EID: 84860242625     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2012.03.048     Document Type: Article

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