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Yu Yang

Institute of Applied Physics and Computational Mathematics

Fenghao East Road 2

Beijing

China

  • Institute of Applied Physics and Computational Mathematics

SCHOLARLY PAPERS

3

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30

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0

Scholarly Papers (3)

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1.

Modulation of Biaxial Strains on the Optical Responses of Defective Ti3c2 𝑇x (𝑇 = F, O, Oh) Mxenes

Number of pages: 16 Posted: 17 Feb 2025
Yulong Zhang, Zhongwei Zhao, Jie-Yun Yan, Huajie Song, Wenting Lv and Yu Yang
Institute of Applied Physics and Computational Mathematics, affiliation not provided to SSRN, Beijing University of Posts and Telecommunications (BUPT) - School of Science, Institute of Applied Physics and Computational Mathematics, Institute of Applied Physics and Computational Mathematics and Institute of Applied Physics and Computational Mathematics
Downloads 17 (1,481,165)

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MXenes, Strain, Optical properties, Density functional theory

2.

Mechanism of ThO2/ThN interfaces against charge transfer and oxygen penetration: A First-principles study

Number of pages: 18 Posted: 11 May 2026
Guo-Zhu Lei, Shuxian Hu and Yu Yang
University of Science and Technology Beijing, University of Science and Technology Beijing and Institute of Applied Physics and Computational Mathematics
Downloads 10 (1,566,597)

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ThO2/ThN heterojunction, Charge transfer, Orbital hybridization, Oxygen diffusion

3.

How the UN(111)/UO2(111) Interface Controls Oxygen: Thermodynamic Stability, Directional Trapping, and Preferential Diffusion

Number of pages: 21 Posted: 15 Jun 2026
Yu Zhang, Xuwen Zhao, Chengzhen Miao, Yu Yang and Yujuan Zhang
University of Science and Technology Beijing, University of Science and Technology Beijing, University of Science and Technology Beijing, Institute of Applied Physics and Computational Mathematics and University of Science and Technology Beijing
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UN/UO2 interface, oxygen diffusion, segregation, accident-tolerant fuels, First-principles calculations