Xue H - Search Results

1

Double strengthening induced by grain boundary segregation of solute elements in gradient nano Ni-Co alloys.

Zhang W, Guo X, Ren J, Li J, Xue H, Tang F, La P, Lu X. Zhang W, et al. Among authors: xue h. Phys Chem Chem Phys. 2023 Nov 29;25(46):32142-32150. doi: 10.1039/d3cp03613h. Phys Chem Chem Phys. 2023. PMID: 37986587

2

Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates.

Xue HT, Boschetto G, Krompiec M, Morse GE, Tang FL, Skylaris CK. Xue HT, et al. Phys Chem Chem Phys. 2017 Feb 15;19(7):5617-5628. doi: 10.1039/c6cp08165g. Phys Chem Chem Phys. 2017. PMID: 28168245

3

Manganese doping mechanism in a CsPbI₂Br photovoltaic material: a first-principles study.

An J , Jiang H , Tian Y , Xue H , Tang F . An J , et al. Among authors: xue h. Phys Chem Chem Phys. 2019 Nov 14;21(42):23552-23558. doi: 10.1039/c9cp03870a. Epub 2019 Oct 16. Phys Chem Chem Phys. 2019. PMID: 31617523

4

Cluster expansion Monte Carlo study of indium-aluminum segregation and homogenization in CuInSe₂-CuAlSe₂ pseudobinary alloys.

Xue HT, Yu XD, Aarons J, Tang FL, Lu XF, Ren JQ. Xue HT, et al. Phys Chem Chem Phys. 2020 Jul 8;22(26):14694-14703. doi: 10.1039/d0cp01529f. Phys Chem Chem Phys. 2020. PMID: 32573573

5

Charge inhomogeneity of carbon.

Liang ZF, Luo YQ, Xue HT, Tang FL, Fan D, Yao XJ. Liang ZF, et al. Among authors: xue ht. J Phys Condens Matter. 2020 Mar 17;33(11):115702. doi: 10.1088/1361-648X/abd336. J Phys Condens Matter. 2020. PMID: 33316790

6

Tensile mechanical performance of Ni-Co alloy nanowires by molecular dynamics simulation.

Lu X, Yang P, Luo J, Ren J, Xue H, Ding Y. Lu X, et al. Among authors: xue h. RSC Adv. 2019 Aug 19;9(44):25817-25828. doi: 10.1039/c9ra04294f. eCollection 2019 Aug 13. RSC Adv. 2019. PMID: 35530058 Free PMC article.

7

Insight into the Electronic Properties of Semiconductor Heterostructure Based on Machine Learning and First-Principles.

Yuan Y, Ren J, Xue H, Li J, Tang F, La P, Lu X. Yuan Y, et al. Among authors: xue h. ACS Appl Mater Interfaces. 2023 Mar 8;15(9):12462-12472. doi: 10.1021/acsami.2c15957. Epub 2023 Feb 24. ACS Appl Mater Interfaces. 2023. PMID: 36827435

8

Insights into the electrochemical properties of Li₂FeS₂ after FeS₂ discharging.

Wei CD, Xue HT, Zhao XD, Tang FL. Wei CD, et al. Phys Chem Chem Phys. 2023 Mar 22;25(12):8515-8523. doi: 10.1039/d2cp05930d. Phys Chem Chem Phys. 2023. PMID: 36883530

9

First-principles study of the discharge electrochemical and catalytic performance of the sulfur cathode host Fe_0.875M_0.125S₂ (M = Ti, V).

Wei CD, Xue HT, Hu YX, Zhao QS, Tang FL. Wei CD, et al. Phys Chem Chem Phys. 2024 Jan 17;26(3):2249-2259. doi: 10.1039/d3cp04694j. Phys Chem Chem Phys. 2024. PMID: 38165279

10

Selecting non-metal doped FeS₂ as efficient sulfur cathode host for enhanced Li-S redox chemistry.

Wei CD, Xue HT, Zhang ZJ, Zhao FN, Tang FL. Wei CD, et al. Chemphyschem. 2024 Mar 1;25(5):e202300693. doi: 10.1002/cphc.202300693. Epub 2024 Feb 8. Chemphyschem. 2024. PMID: 38183359

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