张国旭 - 哈尔滨工业大学 - 化工与化学学院

个人简介

工作经历 2020年3月-至今 (present position) 哈尔滨工业大学化工与化学学院，副教授 Associate Professor, School of Chemistry and Chemical Engineering, Harbin Institute of Technology 2016年3月-2020年3月哈尔滨工业大学化工与化学学院，讲师 Assistant Professor, School of Chemistry and Chemical Engineering, Harbin Institute of Technology 2018年4月-2019年4月芬兰阿尔托大学理学院应用物理系，访问学者 Visiting Professor, Department of Applied Physics, School of Science, Aalto University, Finland 2015年3月-2016年3月哈尔滨工业大学基础与交叉科学研究院，讲师 Assistant Professor, Harbin Institute of Technology 2014年2月-2015年1月德国马克斯·普朗克研究学会柏林弗里茨·哈伯研究所，博士后研究员 Postdoctoral fellow at the Fritz-Haber-Institut der MPG 教育经历 Education 2009 - 2014, 德国马普学会弗里茨哈伯研究所, 理论物理博士 Ph.D. in Physics, Fritz Haber Institute of the Max Planck Society, Berlin, Germany 2005 - 2008, 黑龙江大学, 化学化工与材料学院, 物理化学硕士 MSc. in Physical Chemistry, Heilongjiang University, Harbin, China 2001 - 2005, 黑龙江大学, 化学化工与材料学院, 应用化学学士 BSc. in Applied Chemistry, Heilongjiang University, Harbin, China

研究领域

主要研究方向：凝聚态理论与计算材料科学密度泛函理论分子及固体测试集有机/无机表界面机器学习辅助电子结构计算

近期论文

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Guo-Xu Zhang (2021). Machine Learning in X-ray Imaging and Microscopy Applications, pp 205-221. In: Wang, J. (eds) Advanced X-ray Imaging of Electrochemical Energy Materials and Devices. Springer, Singapore. Guo-Xu Zhang, Anthony M. Reilly, Alexandre Tkatchenko, and Matthias Scheffler, Performance of various density-functional approximations for cohesive properties of 64 bulk solids, New J. Phys. 20, 063020 (2018). Kurt Lejaeghere(*), Gustav Bihlmayer,; Guo-Xu Zhang, et al., Reproducibility in density functional theory calculations of solids, Science 351, aad3000 (2016). http://science.sciencemag.org/content/351/6280/aad3000 Guo-Xu Zhang, Alexandre Tkatchenko (*), Joachim Paier, Heiko Appel, and Matthias Scheffler, van der Waals Interactions in Ionic and Semiconductor Solids，Phys. Rev. Lett. 107, 245501 (2011). Guo-Xu Zhang, Ying Xie, Hai-TaoYu(*), and Hong-Gang Fu, First-Principles Calculations of the Stability and Electronic Properties of the PbTiO3 (110) Polar Surface, J. Comput. Chem. 30, 1785 ( 2009). Jingrui Li, Fang Pan, Guo-Xu Zhang, Zenghui Liu, Hua Dong, Dawei Wang, Zhuangde Jiang, Wei Ren, Zuo-Guang Ye, Milica Todorovi？, Patrick Rinke, Submitted, B. Sun, W. Zheng, et al, Synergistically tailoring the electronic structure and ion diffusion of atomically thin Co(OH)2 nanosheets enable fast pseudocapacitive sodium ion storage, Adv. Funct. Mater. 33, 2211711 (2023). J. Laakso, M. Todorovic, J. Li, G.-X. Zhang, and P. Rinke, Compositional engineering of perovskites with machine learning, Phys. Rev. Materials, 6, 113801 (2022). G.-X. Zhang, Y. Song, W. Zhao, H. An and J. Wang, Machine learning-facilitated multiscale imaging for energy materials, Cell Reports Phys. Sci. 3, 101008 (2022). F. Zhang, J. Zhang, H. Nan, D. Fang, G.-X. Zhang, Y. Zhang, L. Liu and D. Wang, Magnetic phase transition of monolayer chromium trihalides investigated with machine learning: Toward a universal magnetic Hamiltonian, J. Phys.: Condens. Matter 34, 395901 (2022). J. Zhang, F. Zhang, D. Wei, L. Liu, X. Liu, D. Fang, G.-X. Zhang, X. Chen, and D. Wang, Structural phase transition of monochalcogenides investigated with machine learning, Phys. Rev. B 105, 094116 (2022). Y. Yuan, D. Zhang, G.X. Zhang, P. Zhang, F. Zhang, C. Yang and Y. Gan, Voltage Dependence of Nanopattern Morphology in Electropolished Aluminum: A Theoretical Study, J. Electrochem. Soc. 169, 063509 (2022). Hongqi Chu, Panpan Feng, Bowen Jin, Gan Ye, Shuangshuang Cui, Ming Zheng, Guo-Xu Zhang, Min Yang, In-situ release of phosphorus combined with rapid surface reconstruction for Co–Ni bimetallic phosphides boosting efficient overall water splitting, Chem. Eng. J. 433, 133523 (2022). Sha Yang, Shuang Li, Guo-Xu Zhang, Sergey Filimonov, Christopher Butch, Ji-Chang Ren, Wei Liu, Surface Strain Induced Collective Switching of Ensembles of Molecules on Metal Surfaces, J. Phys. Chem. Lett. 11 (6), 2277-2283 (2020). L. Ge, D. Wang, P. Yang(*), H. Xu, L. Xiao, G. X. Zhang(*), X. Lu, Z. Duan, F. Meng, J. Zhang and M. An, Graphite N-C-P dominated three-dimensional nitrogen and phosphorus co-doped holey graphene foams as high-efficiency electrocatalysts for Zn-air battery, Nanoscale, 11(36), 17010-17017(2019) DOI: 10.1039/C9NR04696H. Chun-Sheng Xu, Hai-Tao Yu, Chen-Feng Guo, Ying Xie, Ning Ren, Ting-Feng Yi, Guo-Xu Zhang, Surface modification of Li1.2Mn0.54Ni0.13Co0.13O2 via an ionic conductive LiV20193O8 as a cathode material for Li-ion batteries, Ionics (2019). Chen-Xu Zhao, Guo-Xu Zhang, Wang Gao, and Qing Jiang, Single metal atom regulated flexibly by 2D InSe substrate for CO2 reduction electrocatalyst, J. Mater. Chem. A 7 (14), 8210-8217 (2019). Yi-Fan Bu, Ming Zhao, Guo-Xu Zhang, Xinge Zhang, Wang Gao, Qing Jiang, Electroreduction of CO2 on Cu Clusters: The Effects of Size, Symmetry, and Temperature, ChemElectroChem 6 (6), 1831-1837 (2019). Guo-Xu Zhang, Hai-TaoYu(*), and Ying Xie, First-principles Study on the Electronic and Bonding Properties of PbTiO3 (110) Polar Terminations, Chem. Res. Chin. Univ. 31, 825 (2015). http://link.springer.com/article/10.1007/s40242-015-5074-6 Hong Chen, Ying Xie, Guo-Xu Zhang, Hai-Tao Yu(*), A First-Principles Investigation of the Stabilities and Electronic Properties of SrZrO3 (110) (1×1) Polar Terminations, J. Phys.: Condens. Matter 26, 395002 (2014). Wei Liu, Victor G. Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler, and Alexandre Tkatchenko(*), Structure and Energetics of Benzene Adsorbed on Transition-metal Surfaces: Density-functional Theory with van der Waals Interactions Including Collective Substrate Response, New J. Phys. 15, 053046 (2013). (IF=3.67) http://dx.doi.org/10.1088/1367-2630/15/5/053046 Bohdan Schatschneider, Jian-Jie Liang, Anthony M. Reilly, Noa Marom, Guo-Xu Zhang, Alexandre Tkatchenko(*), Electrodynamic Response and Stability of Molecular Crystals, Phys. Rev. B 87, 060104(R) ( 2013). Ying Xie, Hai-Tao Yu, Guo-Xu Zhang, and Hong-Gang Fu(*), Lattice Dynamics Investigation on Different Transition Behaviors of Cubic BaTiO3 and SrTiO3 by First-Principles Calculations, J. Phys.: Condens. Matter 20, 215215 (2008). Ying Xie, Hai-Tao Yu, Guo-Xu Zhang, Hong-Gang Fu(*), and Jia-Zhong Sun, First-Principles Investigation of Stability and Structural Properties of the BaTiO3 (110) Polar Surface, J. Phys. Chem. C 111, 6343 (2007). Ying Xie, Hong-Gang Fu(*), Hai-Tao Yu, Guo-Xu Zhang, and Jia-Zhong Sun, A First-Principles Investigation into the Ferroelectric and Antiferrodistortive Instabilities of Cubic SrTiO3, J. Phys.: Condens. Matter 19, 506213 (2007).