Xingfan Zhang
University College London
H-index: 10
Europe-United Kingdom
Top articles of Xingfan Zhang
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Multiscale Investigation of the Mechanism and Selectivity of CO2 Hydrogenation over Rh(111) | ACS catalysis | Shijia Sun Michael D Higham Xingfan Zhang C Richard A Catlow | 2024/3/28 |
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems | Philosophical Transactions of the Royal Society A | Jingcheng Guan You Lu Kakali Sen Jamal Abdul Nasir Alec W Desmoutier | 2023/7/10 |
Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation | Computational Materials Science | Junping Qian Peiru Zheng Yingjie Ma Xingfan Zhang Jian Huang | 2023/3/5 |
Oxidation of metals and formation of defects by theoretical modeling | Yanyan Jiang Xingfan Zhang Hui Li Peiru Zheng Yingjie Ma | 2023/1/1 | |
Multiscale QM/MM modelling of catalytic systems with ChemShell | You Lu Kakali Sen Chin Yong David SD Gunn John A Purton | 2023 | |
Bulk and surface contributions to ionisation potentials of metal oxides | Angewandte Chemie | Xingfan Zhang Taifeng Liu Lei Zhu Jingcheng Guan You Lu | 2023/10/2 |
Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach | Journal of Materials Chemistry A | Lei Zhu C Richard A Catlow Qing Hou Xingfan Zhang John Buckeridge | 2023 |
Toward a Consistent Prediction of Defect Chemistry in CeO2 | Chemistry of Materials | Xingfan Zhang Lei Zhu Qing Hou Jingcheng Guan You Lu | 2022/12/21 |
Parallel-Self-Assembling Stack, Center-Capture Effect, and Reactivity-Enhancing Effect of N-Layer (N = 1, 2, 3) Cyclo[18]carbon | ACS nano | Peiru Zheng Lishu Zhang Xingfan Zhang Yingjie Ma Yanyan Jiang | 2022/11/15 |
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 | Chemistry of Materials | Taifeng Liu Xingfan Zhang Jingcheng Guan C Richard A Catlow Aron Walsh | 2022/6/9 |
Atomic-scale understanding of oxidation mechanisms of materials by computational approaches: A review | Xingfan Zhang Peiru Zheng Yingjie Ma Yanyan Jiang Hui Li | 2022/5/1 | |
Structural transformation from low-coordinated oxides to high-coordinated oxides during the oxidation of Cu nanoparticles | The Journal of Physical Chemistry C | Yingjie Ma Xingfan Zhang Peiru Zheng Erli Ni Yifei Wang | 2021/4/15 |
Hydrogenation of TiO 2 nanosheets and nanoparticles: Typical reduction stages and orientation-related anisotropic disorder | Journal of Materials Chemistry A | Peiru Zheng Lishu Zhang Xingfan Zhang Yingjie Ma Junping Qian | 2021 |
The eruption of carbon chains in the oxidation of 2D Tin+ 1Cn (n= 1, 2, 3) MXenes | Applied Surface Science | Peiru Zheng Xingfan Zhang Meng Yan Yingjie Ma Yanyan Jiang | 2021/6/1 |
Structure and thermal expansion of coordination shells in solid and liquid Invar alloys by molecular dynamics study | Journal of Applied Physics | Chengrui Fu Xingfan Zhang Yunrui Duan Yujie Xia Tao Li | 2020/1/21 |
纳米尺度下 Al 和 Si 表面氧化机理的反应分子动力学研究 | 张邢帆 | 2020 | |
Oxidation of graphene with variable defects: alternately symmetrical escape and self-restructuring of carbon rings | Nanoscale | Peiru Zheng Xingfan Zhang Yunrui Duan Meng Yan Robert Chapman | 2020 |
Semiconductor-metal transition in multi-layer sandwiched BAs/BP heterostructures induced by BP intercalation | Applied Surface Science | Xinyue Dai Xingfan Zhang Hui Li | 2020/3/30 |
Odd‐Even Effects on Transport Properties of Polycyclic Arene Molecular Devices with Decreasing Numbers of Benzene Rings | ChemPhysChem | Yujie Xia Tao Li Chao Yuan Cameron Fletcher Xinyue Dai | 2020/3/17 |
Atomistic origin of amorphous-structure-promoted oxidation of silicon | Applied Surface Science | Xingfan Zhang Yunrui Duan Xinyue Dai Tao Li Yujie Xia | 2020/2/28 |
Co-Authors
