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Xingfan Zhang

university of basel

17H-index
58Paper Count
843Citation Count
Published Papers 37
Publication Date
Atomic Insights into the Oxidation-Induced Softening of Fe-Ni Nanowires
err2026-05-06
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errOAAI
errMengshuang Fu; Xingfan Zhang; Zhichao Li; Qingshui Liu; Lishu Zhang; Weikang Wu; Hui Li
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Island growth on oxide film of Cu surfaces: insights from reactive molecular dynamics
err2026-03-14
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PREAI
errMengshuang Fu; Xingfan Zhang; Yuying Wu; Qingshui Liu; Zhichao Li; Lishu Zhang; Weikang Wu; Hui Li
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Oxidation mechanism transition and phase separation in Fe-Ni alloy Nanowires: Bridging experiments with molecular dynamics
err2025-09-07
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PREAI
errMengshuang Fu; Ruilin Bai; Xingfan Zhang; Qingshui Liu; Zhichao Li; Chengjiao Che; Sujuan Cheng; Lishu Zhang; Weikang Wu; Hui Li
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xidation behavior of Fe-Ni Invar alloy under high pressure: A ReaxFF molecular dynamics study
err2025-01-01
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PREAI
errFu, Mengshuang; Zhang, Xingfan; Liu, Qingshui; Huang, Jian; Li, Zhichao; Wang, Zhihao; Wu, Weikang; Li, Hui
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Discharging of Ramsdellite MnO2 Cathode in a Lithium-Ion Battery
err2024-08-30
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errOAAI
errJee, Woongkyu; Sokol, Alexey A.; Xu, Cyril; Camino, Bruno; Zhang, Xingfan; Woodley, Scott M.
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Environment-Driven Variability in Absolute Band Edge Positions and Work Functions of Reduced Ceria
err2024-06-05
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errOAAI
errZhang, Xingfan; Blackman, Christopher; Palgrave, Robert G.; Ashraf, Sobia; Dey, Avishek; Blunt, Matthew O.; Zhang, Xu; Liu, Taifeng; Sun, Shijia; Zhu, Lei; Guan, Jingcheng; Lu, You; Keal, Thomas W.; Buckeridge, John; Catlow, C. Richard A.; Sokol, Alexey A.
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Multiscale Investigation of the Mechanism and Selectivity of CO2 Hydrogenation over Rh(111)
err2024-03-28
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errOAAI
errSun, Shijia; Higham, Michael D.; Zhang, Xingfan; Catlow, C. Richard A.
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Formation of intrinsic point defects in AlN: a study of donor and acceptor characteristics using hybrid QM/MM techniques
err2024-01-01
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errOAAI
errZhu, Lei; Zhang, Xingfan; Hou, Qing; Lu, You; Keal, Thomas W.; Buckeridge, John; Catlow, C. Richard A.; Sokol, Alexey A.
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Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides
err2023-08-24
err5
errOAAI
errZhang, Xingfan; Liu, Taifeng; Zhu, Lei; Guan, Jingcheng; Lu, You; Keal, Thomas W.; Buckeridge, John; Catlow, C. Richard A.; Sokol, Alexey A.
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Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
err2023-05-22
err6
errOAAI
errGuan, Jingcheng; Lu, You; Sen, Kakali; Nasir, Jamal Abdul; Desmoutier, Alec W. W.; Hou, Qing; Zhang, Xingfan; Logsdail, Andrew J. J.; Dutta, Gargi; Beale, Andrew M. M.; Strange, Richard W. W.; Yong, Chin; Sherwood, Paul; Senn, Hans M. M.; Catlow, C. Richard A.; Keal, Thomas W. W.; Sokol, Alexey A. A.
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Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation
err2023-03-01
err6
PREAI
errQian, Junping; Zheng, Peiru; Ma, Yingjie; Zhang, Xingfan; Huang, Jian; Zhang, Di; Li, Zhichao; Jiang, Yanyan; Wu, Weikang; Li, Hui
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Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach
err2023-01-01
err6
errOAAI
errZhu, Lei; Catlow, C. Richard A.; Hou, Qing; Zhang, Xingfan; Buckeridge, John; Sokol, Alexey A.
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Toward a Consistent Prediction of Defect Chemistry in CeO2
err2022-12-21
err19
errOAAI
errZhang, Xingfan; Zhu, Lei; Hou, Qing; Guan, Jingcheng; Lu, You; Keal, Thomas W.; Buckeridge, John; Catlow, C. Richard A.; Sokol, Alexey A.
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Parallel-Self-Assembling Stack, Center-Capture Effect, and Reactivity-Enhancing Effect of N-Layer (N=1, 2, 3) Cyclo[18]carbon
err2022-11-15
err5
PREAI
errZheng, Peiru; Zhang, Lishu; Zhang, Xingfan; Ma, Yingjie; Jiang, Yanyan; Li, Hui
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Insight into the Fergusonite-Scheelite Phase Transition of ABO4-Type Oxides by Density Functional Theory: A Case Study of the Subtleties of the Ground State of BiVO4
err2022-06-09
err12
errOAAI
errLiu, Taifeng; Zhang, Xingfan; Guan, Jingcheng; Catlow, C. Richard A.; Walsh, Aron; Sokol, Alexey A.; Buckeridge, John
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