Journal of Guangdong University of Technology ›› 2007, Vol. 24 ›› Issue (1): 9-13.

• Comprehensive Studies • Previous Articles     Next Articles

Study on Structure and Photoelectron Spectroscopy of B_mN_n and B_mN_n~-(m+n≤5) Clusters

  

  1. (1.Faculty of Physics & Optoelectronic Engineering,Guangdong University of Technology,Guangzhou 510090,China;2.Dept.of Physics and Electronic Information Science,Gannan Teachers College,Gangzhou 431000,China)
  • Online:2007-02-01 Published:2007-02-01

HTML

PDF (PC)

2372

Abstract: The geometries,electronic states and vibrational frequencies of BmNn(m+n≤5) neutral and anionic clusters have been investigated by using B3LYP method of the density functionnal theory(DFT) at the level of 6-31G(d).Moreover,the vertrical detachment of BmN-n(m+n≤5) and the adiabatic electron affinities of BmNn(m+n≤5) are discussed at the same level.The results show that the ground state structure of BmNn(m+n≤5) clusters are planar except BN、B2N、B3N、B2N3 and B3N2 clusters due to linetype.For BmN-n(...

Key words: BmNn and BmN-n clusters； density functionnaltheory； photoeletron spectroscopy；

[1] Strout D L.Structure and stability of boron nitrides:TheCrossover between Ring and Cages. J.Phys.Chem.A . 2000

[2] Alexander S,,Chacham H.Stability,geometry,and electronicstructure of the boron nitride(BN)36. Applied Physics Letters . 1999

[3] Huo K F,,Hu Z,Fu J J.Synthesis of boron nitride nanowires. Applied Physics Letters . 2002

[4] Seifert G,,Fower P W.Boron-nitrogen analogues of thefullerenes:electronic and strucral properties. Chinese Physics Letter . 1997

[5] Sun M L,,Lee S L.Square/hexagon route towards the bo-ron-nitrogen clusters. Chinese Physics Letter . 1995

[6] Alexander S.Structure and energetics of the boron nitride:the role of stoichiometry. Physical Review B Condensed Matter and Materials Physics . 2001

[7] Strout D L.Structure and stability of boron nitrides(BN)12. J.Phys.Chem.A . 2000

[8] 宋燕,陈宏善,张材荣,王广厚.  (BN)_n(n≤12)团簇的结构及成键性质[J]. 物理化学学报. 2005(07)

[9] 贾建锋,武海顺,焦海军.  (BN)_n团簇的结构和稳定性[J]. 化学学报. 2003(05)
No related articles found!
Viewed
Full text


Abstract

Cited
  Shared   
  Discussed   
No Suggested Reading articles found!
Copyright © 2017 Journal of Guangdong University of Technology
Add：729 East Dongfeng RD., Guangzhou PRC. Postcode: 510090
Tel：020-37626653,020-37626139,020-37626396
Email：xbzrb@gdut.edu.cn
Supported:Beijing Magtech