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publications
Tailoring catalytic properties of V$_textrm2$O$_textrm3$ to propane dehydrogenation through single-atom doping: A DFT study
Published in Catalysis Today, 2020
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Recommended citation: Jun Zhang, Rui Zhou, Qing Chang, Zhi Sui, Xing Zhou, De Chen, Yi Zhu, "Tailoring catalytic properties of V$_textrm2$O$_textrm3$ to propane dehydrogenation through single-atom doping: A DFT study." Catalysis Today, 2020.
Defect accumulation and evolution in refractory multi-principal element alloys
Published in Acta Materialia, 2021
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Recommended citation: Shijun Zhao, Yaoxu Xiong, Shihua Ma, Jun Zhang, Biao Xu, Ji-Jung Kai, "Defect accumulation and evolution in refractory multi-principal element alloys." Acta Materialia, 2021.
Effects of Oxygen Vacancy and Pt Doping on the Catalytic Performance of CeO$_textrm2$ in Propane Dehydrogenation: A First‐Principles Study
Published in Chinese Journal of Chemistry, 2021
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Recommended citation: Muhammad Zeeshan, Qing-Yu Chang, Jun Zhang, Ping Hu, Zhi-Jun Sui, Xing-Gui Zhou, De Chen, Yi-An Zhu, "Effects of Oxygen Vacancy and Pt Doping on the Catalytic Performance of CeO$_textrm2$ in Propane Dehydrogenation: A First‐Principles Study." Chinese Journal of Chemistry, 2021.
Elemental partitions and deformation mechanisms of L1$_textrm2$-type multicomponent intermetallics
Published in Acta Materialia, 2021
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Recommended citation: Jun Zhang, Shihua Ma, Yaoxu Xiong, Biao Xu, Shijun Zhao, "Elemental partitions and deformation mechanisms of L1$_textrm2$-type multicomponent intermetallics." Acta Materialia, 2021.
Activating lattice oxygen in NiFe-based (oxy)hydroxide for water electrolysis
Published in Nature Communications, 2022
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Recommended citation: Zuyun He, Jun Zhang, Zhiheng Gong, Hang Lei, Deng Zhou, Nian Zhang, Wenjie Mai, Shijun Zhao, Yan Chen, "Activating lattice oxygen in NiFe-based (oxy)hydroxide for water electrolysis." Nature Communications, 2022.
Chemical short-range ordering regulated dislocation cross slip in high-entropy alloys
Published in Journal of Alloys and Compounds, 2022
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Recommended citation: Shihua Ma, Jun Zhang, Biao Xu, Yaoxu Xiong, Wei Shao, Shijun Zhao, "Chemical short-range ordering regulated dislocation cross slip in high-entropy alloys." Journal of Alloys and Compounds, 2022.
Design high-entropy carbide ceramics from machine learning
Published in npj Computational Materials, 2022
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Recommended citation: Jun Zhang, Biao Xu, Yaoxu Xiong, Shihua Ma, Zhe Wang, Zhenggang Wu, Shijun Zhao, "Design high-entropy carbide ceramics from machine learning." npj Computational Materials, 2022.
Exploring the influence of percolation on vacancy-mediated diffusion in CoCrNi multi-principal element alloys
Published in Materials & Design, 2022
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Recommended citation: Biao Xu, Shihua Ma, Yaoxu Xiong, Jun Zhang, Shasha Huang, Ji-Jung Kai, Shijun Zhao, "Exploring the influence of percolation on vacancy-mediated diffusion in CoCrNi multi-principal element alloys." Materials & Design, 2022.
Revealing the crucial role of rough energy landscape on self-diffusion in high-entropy alloys based on machine learning and kinetic Monte Carlo
Published in Acta Materialia, 2022
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Recommended citation: Biao Xu, Jun Zhang, Shihua Ma, Yaoxu Xiong, Shasha Huang, J. Kai, Shijun Zhao, "Revealing the crucial role of rough energy landscape on self-diffusion in high-entropy alloys based on machine learning and kinetic Monte Carlo." Acta Materialia, 2022.
Softening Al1$_textrm3$Fe$_textrm4$ intermetallic compound through Fe-site multi-principal-element doping
Published in Scripta Materialia, 2022
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Recommended citation: Liu He, Zhongtao Li, Jun Zhang, Fei Peng, Shijun Zhao, Hongyu Chen, Hongge Yan, Tao Yang, Shuhai Chen, Bo Liu, Yi Ma, Zhenggang Wu, "Softening Al1$_textrm3$Fe$_textrm4$ intermetallic compound through Fe-site multi-principal-element doping." Scripta Materialia, 2022.
Toughening (NbTaZrW)C high‐entropy carbide ceramic through Mo doping
Published in Journal of the American Ceramic Society, 2022
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Recommended citation: Liu He, Jun Zhang, Zhongtao Li, Nan Lin, Bo Liu, Shijun Zhao, Ke Jin, Hongyu Chen, Hongge Yan, Fei Peng, Yi Ma, Zhenggang Wu, "Toughening (NbTaZrW)C high‐entropy carbide ceramic through Mo doping." Journal of the American Ceramic Society, 2022.
Effects of local chemical ordering on defect evolution in NiFe concentrated solid solution alloy
Published in Journal of Nuclear Materials, 2022
Recommended citation: Shasha Huang, Jun Zhang, Yaoxu Xiong, Shihua Ma, Biao Xu, Shijun Zhao, "Effects of local chemical ordering on defect evolution in NiFe concentrated solid solution alloy." Journal of Nuclear Materials, 2022.
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High hydrogen isotopes permeation resistance in (TiVAlCrZr)O multi-component metal oxide glass coating
Published in Acta Materialia, 2022
Recommended citation: Lulu Hu, Fen Zhong, Jun Zhang, Shijun Zhao, Yongqiang Wang, Guangxu Cai, Tao Cheng, Guo Wei, Shuangfeng Jia, Dongxun Zhang, Ran Yin, Zhiquan Chen, Changzhong Jiang, Feng Ren, "High hydrogen isotopes permeation resistance in (TiVAlCrZr)O multi-component metal oxide glass coating." Acta Materialia, 2022.
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Unravelling the Interfacial Dynamics of Band-gap Funneling in Bismuth-based Halide Perovskites
Published in Advanced Materials, 2022
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Recommended citation: Y. Tang, C. Mak, J. Zhang, G. Jia, K. Cheng, H. Song, M. Yuan, S. Zhao, J. Kai, J. Colmenares, H. Hsu, "Unravelling the Interfacial Dynamics of Band-gap Funneling in Bismuth-based Halide Perovskites." Advanced Materials, 2022.
Design high-entropy electrocatalyst via interpretable deep graph attention learning
Published in Joule, 2023
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Recommended citation: Jun Zhang, Chaohui Wang, Shasha Huang, Xuepeng Xiang, Yaoxu Xiong, Biao Xu, Shihua Ma, Haijun Fu, Jijung Kai, Xiongwu Kang, Shijun Zhao, "Design high-entropy electrocatalyst via interpretable deep graph attention learning." Joule, 2023.
Influence of short-range order on diffusion in multiprincipal element alloys from long-time atomistic simulations
Published in Physical Review Materials, 2023
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Recommended citation: Biao Xu, Shihua Ma, Shasha Huang, Jun Zhang, Yaoxu Xiong, Haijun Fu, Xuepeng Xiang, Shijun Zhao, "Influence of short-range order on diffusion in multiprincipal element alloys from long-time atomistic simulations." Physical Review Materials, 2023.
Rational design of high-entropy ceramics based on machine learning – A critical review
Published in Current Opinion in Solid State and Materials Science, 2023
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Recommended citation: Jun Zhang, Xuepeng Xiang, Biao Xu, Shasha Huang, Yaoxu Xiong, Shihua Ma, Haijun Fu, Yi Ma, Hongyu Chen, Zhenggang Wu, Shijun Zhao, "Rational design of high-entropy ceramics based on machine learning – A critical review." Current Opinion in Solid State and Materials Science, 2023.
Revealing the governing factors for long-term radiation damage evolution in multi-principal elemental alloys through atomistically-informed cluster dynamics
Published in Materials & Design, 2023
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Recommended citation: Yaoxu Xiong, Jun Zhang, Shihua Ma, Biao Xu, Shijun Zhao, "Revealing the governing factors for long-term radiation damage evolution in multi-principal elemental alloys through atomistically-informed cluster dynamics." Materials & Design, 2023.
Atomic-scale interfacial engineering enables high-performance electrochemical glucose detection
Published in Applied Surface Science, 2023
Recommended citation: Luolan Wang, Jun Zhang, Zuyun He, Zhenhui Wang, Wei Xiong, Shihan Yan, Zhiheng Gong, Nian Zhang, Shijun Zhao, Xinwei Wang, Yan Chen, "Atomic-scale interfacial engineering enables high-performance electrochemical glucose detection." Applied Surface Science, 2023.
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Mechanism of sluggish diffusion under rough energy landscape
Published in Cell Reports Physical Science, 2023
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Recommended citation: Biao Xu, Jun Zhang, Yaoxu Xiong, Shihua Ma, Yuri Osetsky, Shijun Zhao, "Mechanism of sluggish diffusion under rough energy landscape." Cell Reports Physical Science, 2023.
Shifting oxygen evolution reaction pathway via activating lattice oxygen in layered perovskite oxide
Published in Advanced Functional Materials, 2023
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Recommended citation: Chenghao Jia, Xuepeng Xiang, Jun Zhang, Zuyun He, Zhiheng Gong, Huijun Chen, Nian Zhang, Xinwei Wang, Shijun Zhao, Yan Chen, "Shifting oxygen evolution reaction pathway via activating lattice oxygen in layered perovskite oxide." Advanced Functional Materials, 2023.
Multiscale modeling of irradiation-induced defect evolution in BCC multi principal element alloys
Published in Journal of Alloys and Compounds, 2023
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Recommended citation: Yaoxu Xiong, Jun Zhang, Shihua Ma, Shasha Huang, Biao Xu, Shijun Zhao, "Multiscale modeling of irradiation-induced defect evolution in BCC multi principal element alloys." Journal of Alloys and Compounds, 2023.
Multislip-enabled morphing of all-inorganic perovskites
Published in Nature Materials, 2023
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Recommended citation: Xiaocui Li, You Meng, Wanpeng Li, Jun Zhang, Chaoqun Dang, Heyi Wang, Shih Hung, Rong Fan, Fu Chen, Shijun Zhao, Johnny Ho, Yang Lu, "Multislip-enabled morphing of all-inorganic perovskites." Nature Materials, 2023.
Mechanism of elemental segregation around extended defects in high-entropy alloys and its effect on mechanical properties
Published in Acta Materialia, 2024
Recommended citation: Shihua Ma, Weihong Liu, Qian Li, Jun Zhang, Shasha Huang, Yaoxu Xiong, Biao Xu, Tao Yang, Shijun Zhao, "Mechanism of elemental segregation around extended defects in high-entropy alloys and its effect on mechanical properties." Acta Materialia, 2024.
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Ultrahigh intermediate-temperature strength and good tensile plasticity in chemically complex intermetallic alloys via lamellar architectures
Published in Acta Materialia, 2024
Recommended citation: Bo Xiao, Jun Zhang, Shaofei Liu, Yinghao Zhou, Jiang Ju, Ji-Jung Kai, Yilu Zhao, Xiawei Yang, Lianyong Xu, Shijun Zhao, Tao Yang, "Ultrahigh intermediate-temperature strength and good tensile plasticity in chemically complex intermetallic alloys via lamellar architectures." Acta Materialia, 2024.
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Enhancing the irradiation resistance of L12 intermetallics by incorporating multiple principal elements through computational modeling
Published in Journal of Materials Research and Technology, 2024
Recommended citation: Shasha Huang, Yaoxu Xiong, Shihua Ma, Jun Zhang, Haijun Fu, Biao Xu, Ji-Jung Kai, Shijun Zhao, "Enhancing the irradiation resistance of L12 intermetallics by incorporating multiple principal elements through computational modeling." Journal of Materials Research and Technology, 2024.
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Irradiation performance of high entropy ceramics: A comprehensive comparison with conventional ceramics and high entropy alloys
Published in Progress in Materials Science, 2024
Recommended citation: Shasha Huang, Jun Zhang, Haijun Fu, Yaoxu Xiong, Shihua Ma, Xuepeng Xiang, Biao Xu, Wenyu Lu, Yanwen Zhang, William Weber, Shijun Zhao, "Irradiation performance of high entropy ceramics: A comprehensive comparison with conventional ceramics and high entropy alloys." Progress in Materials Science, 2024.
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Octahedral Nanocrystals of Ru‐Doped PtFeNiCuW/CNTs High‐Entropy Alloy: High Performance Toward pH‐Universal Hydrogen Evolution Reaction
Published in Advanced Materials, 2024
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Recommended citation: Chaohui Wang, Jun Zhang, Kanghua Miao, Mairui Long, Siyuan Lai, Shijun Zhao, Xiongwu Kang, "Octahedral Nanocrystals of Ru‐Doped PtFeNiCuW/CNTs High‐Entropy Alloy: High Performance Toward pH‐Universal Hydrogen Evolution Reaction." Advanced Materials, 2024.
A Review of Cluster Dynamics in Studying Radiation Damage: Dominant Factors and Practical Implications
Published in JOM, 2024
Recommended citation: Yaoxu Xiong, Shasha Huang, Jun Zhang, Shihua Ma, Biao Xu, Haijun Fu, Xuepeng Xiang, Wenyu Lu, Shijun Zhao, "A Review of Cluster Dynamics in Studying Radiation Damage: Dominant Factors and Practical Implications." JOM, 2024.
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Local-distortion-informed exceptional multicomponent transition-metal carbides uncovered by machine learning
Published in npj Computational Materials, 2024
Publisher: Nature Publishing Group
Recommended citation: Jun Zhang, Liu He, Yaoxu Xiong, Shasha Huang, Biao Xu, Shihua Ma, Xuepeng Xiang, Haijun Fu, Jijung Kai, Zhenggang Wu, Shijun Zhao, "Local-distortion-informed exceptional multicomponent transition-metal carbides uncovered by machine learning." npj Computational Materials, 2024.
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Distinct amorphization resistance in high-entropy MAX-phases (Ti, M)2AlC (M=Nb, Ta, V, Zr) under in situ irradiation
Published in npj Computational Materials, 2024
Publisher: Nature Publishing Group
Recommended citation: Hao Xiao, Shuang Zhao, Jun Zhang, Shijun Zhao, Youbing Li, Ke Chen, Liuxuan Cao, Yugang Wang, Qing Huang, Chenxu Wang, "Distinct amorphization resistance in high-entropy MAX-phases (Ti, M)2AlC (M=Nb, Ta, V, Zr) under in situ irradiation." npj Computational Materials, 2024.
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Interactions between irradiation-induced defects and dislocations in concentrated solid solution alloys
Published in Journal of Nuclear Materials, 2024
Recommended citation: Yaoxu Xiong, Shihua Ma, Jun Zhang, Shasha Huang, Biao Xu, Haijun Fu, Xuepeng Xiang, Wenyu Lu, Shijun Zhao, "Interactions between irradiation-induced defects and dislocations in concentrated solid solution alloys." Journal of Nuclear Materials, 2024.
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