• 文献标题:   A new polymorph of graphene monoxide: an all-sp(3) bonded metal and ambient pressure superconductor
  • 文献类型:   Article
  • 作  者:   KONDRIN MV, LEBED YB, BRAZHKIN VV
  • 作者关键词:  
  • 出版物名称:   CRYSTENGCOMM
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1039/d2ce01561g EA JAN 2023
  • 出版年:   2023

▎ 摘  要

In this brief report, we propose the ab initio prediction of a new polymer of carbon monoxide, previously overlooked in extensive searches for its phases. This polymer (named gamma-graphene monoxide) is more energetically favorable at ambient pressure than molecular CO, and possesses a set of unusual properties. Both first principles calculations and straightforward crystallochemistry analysis suggest that it is metallic at ambient pressure, and even superconducting with a critical temperature T-c = 4-20 K.