Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field-Reference-Cited by-同舟云学术

Tuning band gaps of BN nanosheets and nanoribbons via interfacial dihalogen bonding and external electric field

Published:2014 Issue:15 Volume:6 Page:8624-8634
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Tang Qing¹²³⁴⁵,Bao Jie¹²³⁴⁵,Li Yafei⁶⁷⁸,Zhou Zhen¹²³⁴⁵,Chen Zhongfang⁷⁹¹⁰¹¹

Affiliation:

1. Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry

2. Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education)

3. Computational Centre for Molecular Science

4. Institute of New Energy Material Chemistry

5. Collaborative Innovation Center of Chemical Science and Engineering (Tianjin)

6. Nanjing Normal University

7. Department of Chemistry

8. Nanjing 210042, China

9. Institute for Functional Nanomaterials

10. University of Puerto Rico

11. San Juan, PR China 00931

Abstract

DFT computations with dispersion corrections were performed to investigate dihalogen interactions and their effect on the electronic band structures of halogenated BN bilayers and aligned halogen-passivated zigzag BN nanoribbons (BNNRs).

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2014/NR/C4NR00008K

Reference51 articles.

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3. Halogen bonds in 2D supramolecular self-assembly of organic semiconductors

4. Role of Hetero-Halogen (F···X, X = Cl, Br, and I) or Homo-Halogen (X···X, X = F, Cl, Br, and I) Interactions in Substituted Benzanilides

5. Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles

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