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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Autores principales: Yi Luo, Chongdan Ren, Yujing Xu, Jin Yu, Sake Wang, Minglei Sun
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/68a3118baa03404db04404aab1cae7eb
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