Locally spontaneous dynamic oxygen migration on biphenylene: a DFT study

Author:

Situ Boyi1ORCID,Yan Zihan1ORCID,Huo Rubin1,Wang Kongbo1,Chen Liang2,Zhang Zhe1,Zhao Liang1ORCID,Tu Yusong1ORCID

Affiliation:

1. College of Physics Science and Technology & Microelectronics Industry Research Institute, Yangzhou University, Jiangsu 225009, China

2. School of Physical Science and Technology, Ningbo University, Ningbo 315211, China

Abstract

The special hybrid carbon ring structure of biphenylene traps the oxygen atom in the C4 ring, thus exhibiting spatially controlled local dynamic oxygen migration.

Funder

Natural Science Foundation of Jiangsu Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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