Hongtao Xue

Lanzhou University of Technology

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Trends

Author Order

Document Type

Co-Authors

Fuling Tang

Lanzhou University of Technology

Junqiang Ren

Lanzhou University of Technology

Xuefeng Lu

Lanzhou University of Technology

Fuling Tang

Lanzhou University of Technology

Junchen Li

China Coal Research Institute (China)

Fu-Ling Tang

Lanzhou University of Technology

Cheng‐Dong Wei

Lanzhou University of Technology

Chun‐Sing Lee

City University of Hong Kong

Fengjuan Si

Lanzhou City University

Fenning Zhao

Lanzhou University of Technology

Cooperative Institutions

Lanzhou University of Technology

157

Chinese Academy of Sciences

University of Chinese Academy of Sciences

Nanjing University of Posts and Telecommunications

University of Science and Technology of China

City University of Hong Kong

Huazhong University of Science and Technology

Zhejiang University

Tsinghua University

Peking University

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Field

First-principles calculation of sulfur–selenium segregation in ZnSe1−xSx: The role of lattice vibration

Materials Science in Semiconductor Processing (2015)

Xiao-Kang Li Hongtao Xue Fu-Ling Tang Wenjiang Lu

Cluster expansion

Spinodal decomposition

Miscibility

Lattice (music)

Lattice vibration

10.1016/j.mssp.2015.03.024

Cite

Citations (6)

Preparation of porous ZnO/ZnFe 2 O 4 composite from metal organic frameworks and its applications for lithium ion batteries

Chemical Engineering Journal (2016)

Xia Yang Hongtao Xue Qingdan Yang Ruo Yuan Wenpei Kang

Prussian blue

10.1016/j.cej.2016.09.071

Cite

Citations (78)

Inhomogeneous charge distribution of simple substances

International Journal of Modern Physics B (2021)

Cheng‐Dong Wei Wenxiang Li Wenhai Ye Fuling Tang Hongtao Xue

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.

Charge density

Point particle

Effective nuclear charge

Electric charge

10.1142/s0217979221501472

Cite

Citations (1)

Passivation of PEA⁺ to MAPbI₃ (110) surface states by first-principles calculations*

Chinese Physics B (2020)

Wei Hu Ying Tian Hongtao Xue Wensheng Li Fuling Tang

The MAPbI 3 (110) surface with low indices of crystal face is a stable and highly compatible photosensitive surface. Since the electronic states on the surface can be detrimental to the photovoltaic efficiency of the device, they should be passivated. Phenylethylamine (PEA + ), as a molecular ligand, has been widely used in continuous degradation and interfacial charge recombination experiments, and has satisfactory performance in improving surface defects. Therefore, we construct an adsorption model of MAPbI 3 with small molecules, calculating the lattice structure and electronic properties of PEA + -adsorbed MAPbI 3 (110) surface. It is found that PEA + as a passivator can effectively weaken the electronic states and regulate the band gap of the MAPbI 3 (110) surface. Before and after adding the passivator, the peak value of electronic state densities at MAPbI 3 (110) surface is reduced by about 50%, and the band gap is apparently reduced. Moreover, by comparing the Bader atomic charge and spatial charge distributions before and after PEA + ’s adsorption on the surface of MAPbI 3 , we observe a substantial change of PEA + charges, which suggests the surface states have been passivated by PEA + .

Passivation

Surface States

10.1088/1674-1056/abccb7

Cite

Citations (1)

Influence of Eu and Sr co-substitution on multiferroic properties of BiFeO3

Ceramics International (2016)

Weiwei Mao Wei Chen Xing-Fu Wang Yiyi Zhu Yuhui Ma

Substitution (logic)

10.1016/j.ceramint.2016.05.048

Cite

Citations (65)