个人简历

个人简历 2002/9 - 2007/8，中国科学院物理研究所，凝聚态物理，理学博士， 导师：高鸿钧院士 1998/9 - 2002/7，中国科技大学，物理学，理学学士 工作经历 2015/3 - 至今， 北京理工大学，物理学院 2014/11 - 2015/2, 中国科学院物理研究所, 纳米与器件物理实验室，访问学者 2011/10 - 2014/10，美国特拉华大学，化工系（美国化工Top 10，Dion G. Vlachos 研究组），博士后 2008/10 - 2011/4， 丹麦技术大学，物理系，原子结构设计中心 （Jens K. Norskov 课题组，现为斯坦福大学SUNCAT界面 科学与催化研究中心主任），博士后 2007/8 - 2008/9，德国马普学会柏林Fritz-Haber研究所（Matthias Scheffler 课题组），博士后

研究领域

1）第一性原理材料计算：动力学模型以及计算方法的程序开发；多尺度体系计算；表面物理与化学过程、分子自组装吸附；表面催化和反应动力学模拟；多尺度体系计算模拟； 2）量子功能材料设计：金属core-shell纳米颗粒、二维材料在光催化、能源，环保技术等领域的设计和应用；含能材料设计，以及结构与性能的预估模型。

近期论文

1 Yang, P.; Shi, L.-J.; Zhang, J.-M.; Liu, G.-B.; Yang, S. A.; Guo, W(*).; Yao, Y., Tuning to the band gap by complex defects engineering: insights from hybrid functional calculations in CuInS2. Journal of Physics D: Applied Physics 2018, 51 (2), 025105. 2 Pei, W.; Zhang, T.; Wang, Y.(*); Chen, Z.; Umar, A.; Li, H.; Guo, W.(*), Enhancement of charge transfer between graphene and donor-[small pi]-acceptor molecule for ultrahigh sensing performance. Nanoscale 2017, 9 (42), 16273-16280. 3 Yang, P.; Tai, B.; Wu, W.; Zhang, J.-M.; Wang, F.; Guan, S.; Guo, W.(*); Lu, Y.; Yang, S. A.(*), Tailoring lanthanide doping in perovskite CaTiO3 for luminescence applications. Physical Chemistry Chemical Physics 2017, 19, 16189 4 Liu, C.; Wan, W.; Gong, S.; Zhang, H.(*); Guo, W.(*), Multiple magnetoelectric coupling effect in BaTiO3/Sr2CoMoO6 heterostructures. Scientific Reports 2017, 7 (1), 3856 5 Sutton, J. E.; Guo, W.; Katsoulakis, M. A.; Vlachos, D. G., Predictive Modeling of Complex Chemical Kinetics, Nature Chemistry 2016, 8, 331 6 Ji, Y.; Guo, W.; Chen, H.; Zhang, L.; Chen, S.; Hua, M.; Long, Y.; Chen, Z., Surface Ti3+/ Ti4+ Redox Shuttle Enhancing Photocatalytic H2 Production in Ultrathin TiO2 Nanosheets/CdSe Quantum Dots. The Journal of Physical Chemistry C 2015 119 , 27053. 7 Guo, W.; Vlachos, D. G., Patched bimetallic surfaces are active catalysts for ammonia decomposition. Nature Communications 2015, 6, 8619 8 Guo, W.; Vlachos, D. G., On Factors Controlling Activity of Submonolayer Bimetallic Catalysts: Nitrogen Desorption. The Journal of Chemical Physics 2014, 140 (1), 014703. 9 Falsig, H.; Shen, J.; Khan, T. S.; Guo, W.; Jones, G.; Dahl, S.; Bligaard, T., On the structure sensitivity of direct NO decomposition over low-index transition metal facets. Topics in Catalysis 2014, 57 (1-4), 80-88. 10 Guo, W.; Vlachos, D. G., Effect of local metal microstructure on adsorption on bimetallic surfaces: Atomic nitrogen on Ni/Pt (111). The Journal of Chemical Physics 2013, 138 (17), 174702. 11 Guo, W.; Stamatakis, M.; Vlachos, D. G., Design principles of heteroepitaxial bimetallic catalysts. ACS Catalysis 2013, 3 (10), 2248-2255. 12 Vojvodic, A.; Calle-Vallejo, F.; Guo, W.; Wang, S.; Toftelund, A.; Studt, F.; Martinez, J. I.; Shen, J.; Man, I. C.; Rossmeisl, J., On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides. The Journal of Chemical Physics 2011, 134 (24), 244509. 13 Guo, W.; Hu, Y.; Zhang, Y.; Du, S.; Gao, H.-J., Transport properties of boron nanotubes investigated by ab initio calculation. Chinese Physics B 2009, 18 (6), 2502. 14 Guo, W.; Du, S.; Zhang, Y.; Hofer, W.; Seidel, C.; Chi, L.; Fuchs, H.; Gao, H.-J., Electrostatic field effect on molecular structures at metal surfaces. Surface Science 2009, 603 (17), 2815-2819. 15 Gao, L.; Ji, W.; Hu, Y.; Cheng, Z.; Deng, Z.; Liu, Q.; Jiang, N.; Lin, X.; Guo, W.; Du, S., Site-specific Kondo effect at ambient temperatures in iron-based molecules. Physical Review Letters 2007, 99 (10), 106402. 16 Lin, X.; He, X.; Yang, T.; Guo, W.; Shi, D.; Gao, H.-J.; Ma, D.; Lee, S.; Liu, F.; Xie, X., Intrinsic current-voltage properties of nanowires with four-probe scanning tunneling microscopy: A conductance transition of ZnO nanowire. Applied physics letters 2006, 89 (4), 043103.