物理学报2009，Vol.58Issue(z1)：306-312,7.
氢掺杂单层石墨体系的晶格动力学研究
Lattice dynamics of hydrogen-substituted graphene systems
摘要
Abstract
The hydrogen substituted graphenes are investigated by using the density-functional theory. And the localized vibrational modes(LVMs) are calculated within the framework of density-functional perturbation theory. It is found that the number of LVMs at high-frequency part of the spectrum is equal to the number of hydrogen atoms in one vacancy,and LVMs from samples with different substituents have different frequencies. The results and analyses indicate that the measuring of LVMs is an efficient method to determine the classification of substituents as well as their corresponding concentrations in proton-irradiated graphene/graphite samples. This method can also be applied to other doped systems.关键词
石墨/局域模式/晶格动力学Key words
graphene/localized modes/lattice dynamics分类
化学化工引用本文复制引用
黄良锋,李延龄,倪美燕,王贤龙,张国仁,曾雉..氢掺杂单层石墨体系的晶格动力学研究[J].物理学报,2009,58(z1):306-312,7.基金项目
国家自然科学基金(批准号: 10804110)资助的课题.Project supported by the National Natural Science Foundation of China (Grant No. 10804110). （批准号: 10804110）
