Inhomogeneous charge distribution of simple substances
Inhomogeneous charge distribution of simple substances
复制标题
单质的电荷分布不均匀
DOI：
10.1142/s0217979221501472
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发表时间：
2021-04
影响因子：
1.7
通讯作者：
Yao Xiao-Jun
中科院分区：
文献类型：
--
作者：
Wei Cheng-Dong;Li Wen-Xiang;Ye Wen-Hai;Tang Fu-Ling;Xue Hong-Tao;Liang Ze-Fen;Luo Ya-Qiao;Yao Xiao-Jun
Using density function theory calculation method, we investigated the charge distribution in nano- or low-dimension materials and some high pressure three-dimensional solids in many simple substances. It is found that if an atom in simple substances has different atomic environment from the other(s) nearby, they always have spontaneous charge inhomogeneity within local area. Charge inhomogeneity introduced by inequivalent atomic positions is a general phenomenon in simple substances, especially in their nano-materials. Such self-ionization significantly changes elemental matter’s physical and chemical properties. These results can advance the understanding on condensed matters, especially the internal structures and physical or chemical properties of elemental nano-materials, and could be a starting point for experimental investigation of self-ionization in them. The charge inhomogeneity of simple substances means their nonzero oxidation state or nonzero valence.
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影响因子：
0.9
作者：
P. Macchi
通讯作者：
P. Macchi
元素硼的离子高压形式
影响因子：
64.8
作者：
Oganov, Artem R.;Chen, Jiuhua;Solozhenko, Vladimir L.
通讯作者：
Solozhenko, Vladimir L.
影响因子：
3.9
作者：
Li, Da;Tian, Fubo;Cui, Tian
通讯作者：
Cui, Tian
碳的电荷不均匀性
DOI：
10.1088/1361-648x/abd336
发表时间：
2020-03
期刊：
J. Phys.: Condens. Matter
影响因子：
--
作者：
Ze-Fen Liang;Ya-Qiao Luo;Hong-Tao Xue;Fu-Ling Tang;Ding Fan;Xiao-Jun Yao
通讯作者：
Xiao-Jun Yao
影响因子：
1
作者：
Shunqing Wu;Guorui Chen;Zi-zhong Zhu
通讯作者：
Shunqing Wu;Guorui Chen;Zi-zhong Zhu