A first principles investigation on the structural, mechanical, electronic, and catalytic properties of biphenylene

Abstract Recently, a new two-dimensional allotrope of carbon (biphenylene) was experimentally synthesized. Using first-principles calculations, we systematically investigated the structural, mechanical, electronic, and HER properties of biphenylene. A large cohesive energy, absence of imaginary phon...

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Bibliographic Details
Main Authors: Yi Luo, Chongdan Ren, Yujing Xu, Jin Yu, Sake Wang, Minglei Sun
Format: Article
Language:English
Published: Nature Portfolio 2021-09-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-021-98261-9