Exploring the ring current of carbon nanotubes by first-principles calculations

Author:

Ren Pengju12345,Zheng Anmin67839,Xiao Jianping12345,Pan Xiulian12345,Bao Xinhe12345

Affiliation:

1. State Key Laboratory of Catalysis

2. Dalian Institute of Chemical Physics

3. Chinese Academy of Sciences

4. Dalian 116023

5. China

6. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics

7. Wuhan Center for Magnetic Resonance

8. Wuhan Institute of Physics and Mathematics

9. Wuhan 430071

Abstract

The ring currents by the axial component of B0 depend on the semiconducting or metallic properties of CNTs and hence determine the overall magnetic responses and the aromatic characters.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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