Charge inhomogeneity of carbon
Charge inhomogeneity of carbon
复制标题
碳的电荷不均匀性
DOI：
10.1088/1361-648x/abd336
复制
发表时间：
2020-03
期刊：
影响因子：
--
通讯作者：
Xiao-Jun Yao
中科院分区：
文献类型：
--
作者：
Ze-Fen Liang;Ya-Qiao Luo;Hong-Tao Xue;Fu-Ling Tang;Ding Fan;Xiao-Jun Yao
Charge distribution on every atom of carbon matter in four dimension forms (cluster, fullerene, atomistic carbon chain, nanotube, graphene, surface and solid) was investigated by the first-principles calculation. It is found that the charge distribution in most of these materials is inhomogeneous, even in one certain solid phase. We found that if one atom in carbon has different surrounding environment from another one nearby, they always have electron transfer, that is, they have different charge. In round C10 ring, C24 and C60 fullerenes, charge is zero, while charge is not zero in pentagon C10 ring, C30 and C70 fullerenes. At the ends of atomistic chains, nanotube or on the edges of graphenes, carbon atoms have larger positive or negative charge, while almost zero in the central parts. Charge is zero in diamond and graphite, while it is not zero in the high pressure solid phase hexagonite or on some carbon surfaces. The non-zero charge in carbon possibly means its non-zero valence.
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影响因子：
3
作者：
A. B. Sannigrahi;T. Kar
通讯作者：
A. B. Sannigrahi;T. Kar
影响因子：
19.6
作者：
Zhang, Yuanbo;Brar, Victor W.;Crommie, Michael F.
通讯作者：
Crommie, Michael F.
影响因子：
8.6
作者：
Grafe, HJ;Curro, NJ;Büchner, B
通讯作者：
Büchner, B
DOI：
10.1111/j.1151-2916.1992.tb07211.x
发表时间：
1992-07-01
影响因子：
3.9
作者：
OWNBY, PD;YANG, X;LIU, J
通讯作者：
LIU, J
影响因子：
4
作者：
Chunyu Li;T. Chou
通讯作者：
Chunyu Li;T. Chou