Inhomogeneous charge distribution of simple substances

doi:10.1142/S0217979221501472

	Inhomogeneous charge distribution of simple substances
	Wei, Cheng-Dong 2; Li, Wen-Xiang 2; Ye, Wen-Hai 2; Tang, Fu-Ling 2; Xue, Hong-Tao 2; Liang, Ze-Fen 2; Luo, Ya-Qiao 2; Yao, Xiao-Jun 1
刊名	INTERNATIONAL JOURNAL OF MODERN PHYSICS B
	2021-04-20
卷号	35 期号:10
关键词	Simple substances charge distribution oxidation states density function theory
ISSN号	0217-9792
DOI	10.1142/S0217979221501472
英文摘要	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.
WOS研究方向	Physics
语种	英语
出版者	WORLD SCIENTIFIC PUBL CO PTE LTD
WOS记录号	WOS:000670602500010
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/148795]
专题	材料科学与工程学院省部共建有色金属先进加工与再利用国家重点实验室
作者单位	1.Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China; Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China 2.Lanzhou Univ Technol, Sch Mat Sci & Engn, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China;
推荐引用方式 GB/T 7714	Wei, Cheng-Dong,Li, Wen-Xiang,Ye, Wen-Hai,et al. Inhomogeneous charge distribution of simple substances[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B,2021,35(10).
APA	Wei, Cheng-Dong.,Li, Wen-Xiang.,Ye, Wen-Hai.,Tang, Fu-Ling.,Xue, Hong-Tao.,...&Yao, Xiao-Jun.(2021).Inhomogeneous charge distribution of simple substances.INTERNATIONAL JOURNAL OF MODERN PHYSICS B,35(10).
MLA	Wei, Cheng-Dong,et al."Inhomogeneous charge distribution of simple substances".INTERNATIONAL JOURNAL OF MODERN PHYSICS B 35.10(2021).