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A new strategy to tune the BNNT band gap upon adsorption of nitrobenzene and its p-substituted derivatives
- 作者:Preeti Singla (1)
Sonal Singhal (1) Neetu Goel (1)
1. Department of Chemistry and Centre of Advanced Studies in Chemistry ; Panjab University ; Chandigarh ; 160014 ; India
- 关键词:DFT ; BNNT ; Nitrobenzene ; Adsorption ; Band gap tuning
- 刊名:Structural Chemistry
- 出版年:2015
- 出版时间:February 2015
- 年:2015
- 卷:26
- 期:1
- 页码:239-246
- 全文大小:1,773 KB
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- 刊物类别:Chemistry and Materials Science
- 刊物主题:Chemistry
Computer Applications in Chemistry Physical Chemistry Theoretical and Computational Chemistry
- 出版者:Springer Netherlands
- ISSN:1572-9001
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