职　　称：教授
研究方向：功能材料计算与模拟
办公电话：0431-85098317
办公地点：新综合楼822室

个人简历

团队介绍： 团队借助于理论计算方法研究半导体材料“结构-性能”关系，将其应用于光电功能材料的设计，聚焦材料结构与性能能直接相关的物理机制、构建光电材料专属的理论数据库，为光电材料在光电催化、光伏等领域的应用提供理论指导；为基于数据驱动的光电材料设计提供数据支持。 研究兴趣： （a）功能半导体材料设计与材料设计方法开发、物性调控； （b）晶体内以及界面离子输运的理论研究； 欢迎报考： 欢迎有以下特质的学生报考本组硕士、博士，开展合作研究（凝聚态物理、材料科学与工程方向）： 1. 对材料的理论设计感兴趣； 2. 物理、材料、计算机专业； 3. 熟悉Python，C++，Shell或Fortran 语言； 4. 有一项体育爱好，诸如球类运动、跑步等； 工作&学习经历： 2023年03月-至今 东北师范大学 物理学院 教授 2018年04月-2023年02月 科罗拉多大学博尔德分校 副研究员 2014年09月-2018年03月 吉林大学 材料科学与工程 工学博士 2011年09月-2014年07月 吉林大学 物理化学 理学硕士 2007年09月-2011年07月 青岛农业大学 材料化学 理学学士

社会兼职

获奖情况 

  • 人才计划：2022年 国家级青年高层次人才计划入选者

教学信息 （数据来源：教务处）

科研信息 

  • 发表文章（2014年-）
1. Malyi, O. I., Zhao, X. G., Bussmann-Holder, A., & Zunger, A. (2021). Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTiO3. Physical Review Materials, 6, 034604. 
2. Zhao, X. G., Malyi, O. I., Billinge, S. J., & Zunger, A. (2021). Intrinsic local symmetry-breaking in nominally cubic paraelectric BaTiO3. Physical Review B,105, 224108. 
3. Zhao, X.G., Wang, Z., Malyi, I. O., and Zunger, A. (2021) "Effects of intrinsic static local distortions vs. their dynamic thermal motion on band gaps of cubic oxide and halide perovskites", Materials Today, 49,102-122. 
4. Wang, Z., Malyi, I. O., Zhao, X.G., and Zunger, A. (2021) "Mass enhancement in 3d-perovskites from symmetry breaking", Physical Review B 103, 165110. 
5. Zhao, X. G., Zhou, K., Xing, B., Zhao, R., Luo, S., Li, T., ... & Zhang, L. (2021). JAMIP: an artificial-intelligence aided data-driven infrastructure for computational materials informatics. Science Bulletin, 66(19), 1973-1985. 
6. Zhao, X. G., Shi, Z., Wang, X., Zou, H., Fu, Y., & Zhang, L. (2021). Band structure engineering through van der Waals heterostructing superlattices of two‐dimensional transition metal dichalcogenides. InfoMat, 3(2), 201-211. 
7. Zhao, X.G., Dalpian, M. G., Wang, Z., Zunger, A. (2020) "Polymorphous nature of cubic halide perovskites." Physical Review B 101, 155137. 
8. Malyi, I. O., Dalpian, M. G., Zhao, X. G., Wang, Z., Zunger, A. (2020) "Realization of predicted exotic materials: The burden of proof." Materials Today 32, 35-45. 
9. Wang, Z., Zhao, X. G., Koch, R., Billinge, S., Zunger, A. (2020) "Understanding electronic peculiarities in tetragonal FeSe as local structural symmetry breaking.", Physical Review B 102, 235121. 
10. Dalpian, M. G., Zhao, X. G., Kazmerski, L., and Zunger, A. (2019) “Formation and composition-dependent properties of alloys of cubic halide perovskites,” Chemistry of Materials 31, 2497-2506. 
11. Liu, Z., Zhao, X., Zunger, A., & Zhang, L. (2019). Design of mixed‐cation tri‐layered Pb‐free halide perovskites for optoelectronic applications. Advanced Electronic Materials, 5(6), 1900234. 
12. Xu, Q., Stroppa, A., Lv, J., Zhao, X. G., Yang, D., Biswas, K., & Zhang, L. (2019). Impact of organic molecule rotation on the optoelectronic properties of hybrid halide perovskites. Physical Review Materials, 3(12), 125401. 
13. Wang, X., Liu, Z., Zhao, X. G., Lv, J., Biswas, K., & Zhang, L. (2019). Computational design of mixed-valence tin sulfides as solar absorbers. ACS applied materials & interfaces, 11(28), 24867-24875. 
14. Ning, W., Zhao, X. G., Klarbring, J., Bai, S., Ji, F., Wang, F., ... & Gao, F. (2019). Thermochromic Lead‐Free Halide Double Perovskites. Advanced Functional Materials, 29(10), 1807375. 
15. Li, T., Zhao, X. G., Yang, D., Du, M. H., & Zhang, L. (2018). Intrinsic defect properties in halide double perovskites for optoelectronic applications. Physical Review Applied, 10(4), 041001.
16. Zhao, X. G., Yang, D., Ren, J.-C., Sun, Y., Xiao Z., and Zhang, L. (2018) "Rational design of halide double perovskites for optoelectronic applications." Joule 2, 1662-1673.
17. Sun, Y., Wang, X., Zhao, X. G., Shi, Z., & Zhang, L. (2018). First-principle high-throughput calculations of carrier effective masses of two-dimensional transition metal dichalcogenides. Journal of Semiconductors, 39(7), 072001. 
18. Ran, Z., Wang, X., Li, Y., Yang, D., Zhao, X. G., Biswas, K., ... & Zhang, L. (2018). Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials. npj Computational Materials, 4(1), 1-7. 
19. Sun, Y., Luo, S., Zhao, X. G., Biswas, K., Li, S. L., & Zhang, L. (2018). InSe: a two-dimensional material with strong interlayer coupling. Nanoscale, 10(17), 7991-7998. 
20. Zhao, X. G., Yang, D., Sun, Y., Li, T., Zhang, L., Yu, L., & Zunger, A. (2017). Cu-In Halide Perovskite solar absorbers. Journal of the American Chemical Society.139 (19), 6718-6725. 
21. Zhao, X. G., Yang, J. H., Fu, Y., Yang, D., Xu, Q., Yu, L., ... & Zhang, L. (2017). Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation. Journal of the American Chemical Society, 139(7), 2630-2638. 
22. Yang, D., Lv, J., Zhao, X. G., Xu, Q., Fu, Y., Zhan, Y., ... & Zhang, L. (2017). Functionality-Directed Screening of Pb-Free Hybrid Organic-Inorganic Perovskites with Desired Intrinsic Photovoltaic Functionalities. Chemistry of Materials, 29(2), 524-538. 
23. Jiang, F., Yang, D., Jiang, Y., Liu, T., Zhao X.-G., Ming, Y., Luo, B., Qin, F., Fan, J., Han, H., Zhang, L., and Zhou Y.* (2017). Chlorine-incorporation-induced formation of the layered phase for antimony-based lead-free perovskite solar cells, Journal of the American Chemical Society, 140(3) 1019-1027.
24. Dong, H., Wu, Z.*, Xi, J., Xu, X., Zuo, L., Lei, T., Zhao, X. G., Zhang, L., Hou, X., and Jen, A. K.-Y.* (2017). Pseudohalide-Induced Recrystallization Engineering for CH3NH3PbI3 Film and Its Application in Highly Efficient Inverted Planar Heterojunction Perovskite Solar Cells. Adv. Funct. Mater. 1704836.

软件著作权：
(1) 张立军; 周琨; 邢邦昱; 付钰豪; 赵信刚; 赵若廷 ; Jilin Artificial-intelligence aided Materi als-design Integrated Package软件 [简称 JAMIP] V1.0, No. 2021SR0349238, 原始取得, 全部权利, 2021- 01-01 
(2) 张立军; 赵信刚; 付钰豪; 吕健; 那广仁; 罗树林; 邢邦昱; 杨东问; 孙远慧; 赵电龙; 贺欣; 李天 姝; 徐巧玲; 王新江 ; Jilin University Materials-Design Python Package [简称JUMP2] V1.0, No. 2017SR514752, 原始取得, 全部权利, 2017-05-04
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