论文部分内容阅读
The recent success m synthesizing graphene monoxide(GMO)with rigorous stoichiometric ratio C:O = 1:1 has highlighted the need to determine its ground state geometry and to explore its physical properties.Using density functional theory and molecular dynamics simulation,we have found a new ether-type configuration of the GMO that is not only lower in energy than any other structures reported thus far,but is also stable up to 2000 K at which previous reported structures dissociate into CO molecules.