Low energy three-dimensional hydrocarbon crystal from cold compression of benzene

J Phys Condens Matter. 2013 May 22;25(20):205403. doi: 10.1088/0953-8984/25/20/205403. Epub 2013 Apr 23.

Abstract

We demonstrate an interesting phase transition from cold compressed benzene to a fully saturated three-dimensional hydrocarbon crystal, Hex-CH. The very low transition point pressure, remarkable energetic stability and positive dynamical stability indicate that Hex-CH is a promising three-dimensional hydrocarbon crystal. As a transparent insulator and potential hard hydrocarbon material, Hex-CH is expected to be of general interest in organic chemistry, condensed matter physics and material science.

Publication types

  • Research Support, Non-U.S. Gov't