Literature DB >> 22864627

Density functional investigation of CO adsorption on Ni-doped single-walled armchair (5,5) boron nitride nanotubes.

Sarawut Tontapha1, Vithaya Ruangpornvisuti, Banchob Wanno.   

Abstract

The adsorption of CO onto Ni-doped boron nitride nanotubes (BNNTs) was investigated using density functional theory at the B3LYP/LanL2DZ level of theory. The structures of the Ni-doped BNNTs and their CO-adsorbed configurations were obtained. It was found that the strength of adsorption of CO onto Ni-doped perfect BNNTs is higher than that on defective BNNTs. The electronic properties of all of the adsorption configurations of CO on Ni-doped BNNTs are reported.

Entities:  

Year:  2012        PMID： 22864627     DOI： 10.1007/s00894-012-1537-6

Source DB:  PubMed          Journal:  J Mol Model        ISSN： 0948-5023            Impact factor:   1.810


  10 in total

1.  Theory of graphitic boron nitride nanotubes.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1994-02-15

2.  Low temperature growth of boron nitride nanotubes on substrates.

Authors:  Jiesheng Wang; Vijaya K Kayastha; Yoke Khin Yap; Zhiyong Fan; Jia G Lu; Zhengwei Pan; Ilia N Ivanov; Alex A Puretzky; David B Geohegan
Journal:  Nano Lett       Date:  2005-12       Impact factor: 11.189

3.  Ambient carbon dioxide capture by boron-rich boron nitride nanotube.

Authors:  Heechol Choi; Young Choon Park; Yong-Hyun Kim; Yoon Sup Lee
Journal:  J Am Chem Soc       Date:  2011-02-02       Impact factor: 15.419

4.  cclib: a library for package-independent computational chemistry algorithms.

Authors:  Noel M O'Boyle; Adam L Tenderholt; Karol M Langner
Journal:  J Comput Chem       Date:  2008-04-15       Impact factor: 3.376

5.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1988-01-15

6.  Electron energy loss spectroscopy measurement of the optical gaps on individual boron nitride single-walled and multiwalled nanotubes.

Authors:  R Arenal; O Stéphan; M Kociak; D Taverna; A Loiseau; C Colliex
Journal:  Phys Rev Lett       Date:  2005-09-16       Impact factor: 9.161

Review 7.  Boron nitride nanotubes and nanosheets.

Authors:  Dmitri Golberg; Yoshio Bando; Yang Huang; Takeshi Terao; Masanori Mitome; Chengchun Tang; Chunyi Zhi
Journal:  ACS Nano       Date:  2010-06-22       Impact factor: 15.881

8.  Chemical functionalization of boron-nitride nanotubes with NH3 and amino functional groups.

Authors:  Xiaojun Wu; Wei An; Xiao Cheng Zeng
Journal:  J Am Chem Soc       Date:  2006-09-13       Impact factor: 15.419

9.  Double-walled boron nitride nanotubes grown by floating catalyst chemical vapor deposition.

Authors:  Myung Jong Kim; Shahana Chatterjee; Seung Min Kim; Eric A Stach; Mark G Bradley; Mark J Pender; Larry G Sneddon; Benji Maruyama
Journal:  Nano Lett       Date:  2008-09-13       Impact factor: 11.189

10.  Boron nitride nanotubes.

Authors:  N G Chopra; R J Luyken; K Cherrey; V H Crespi; M L Cohen; S G Louie; A Zettl
Journal:  Science       Date:  1995-08-18       Impact factor: 47.728
  10 in total
  1 in total

1.  Theoretical study of the adsorption of pentachlorophenol on the pristine and Fe-doped boron nitride nanotubes.

Authors:  Ruo-xi Wang; Dong-ju Zhang; Rong-xiu Zhu; Cheng-bu Liu
Journal:  J Mol Model       Date:  2014-02-07       Impact factor: 1.810
  1 in total

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