个人简历

北京工业大学环境与能源学院化学化工系副研究员。2006年毕业于中国科学院高能物理研究所获凝聚态物理专业理学博士学位。2006年到北京工业大学环境与能源工程学院工作至今，于2009年起为副研究员。

研究领域

主要从事两方面的研究工作：第一方面是电化学能源材料与器件的设计和制备，包括锂离子电池的电极材料，燃料电池催化剂以及燃料电池体系的整体设计；第二方面是利用量子化学理论方法结合高性能计算方法预测并研究新型能源材料的结构和工作机理。

近期论文

1.A theoretical method to predict novel organic electrode materials for Na-ion batteries, Wanwan Zhang, Pengkun Sun, Shaorui Sun*, Computational Materials Science 134, 42-47
2.A Novel Perovskite SrTiO3‐Ba2FeNbO6 Solid Solution for Visible Light Photocatalytic Hydrogen Production, Guoqiang Zhang，Shaorui Sun，Wenshuai Jiang，Xiang Miao，Zhao Zhao，Xiaoyan Zhang，Dan Qu，Duoying Zhang，Dabing Li，Zaicheng Sun, Advanced Energy Materials 7 (2)
3.A precise theoretical method for high-throughput screening of novel organic electrode materials for Li-ion batteries, Wanwan Zhang, Pengkun Sun, Shaorui Sun, Journal of Materiomics
4.Surface Defects Enhanced Visible Light Photocatalytic H2 Production for Zn‐Cd‐S Solid Solution, Xiaoyan Zhang，Zhao Zhao，Wanwan Zhang，Guoqiang Zhang，Dan Qu，Xiang Miao，Shaorui Sun，Zaicheng Sun, Small 12 (6), 793-801
5.Mechanisms for oxygen reduction reactions on Pt-rich and Pt-poor PtFe alloys as the fuel cell cathode, Zeyuan Wu, Wanwan Zhang, Shaorui Sun*, Computational Materials Science 125, 278-283
6.Understanding the efficiency drooping of the deep blue organometallic phosphors: a computational study of radiative and non-radiative decay rates for triplets,Qian Peng，Qinghua Shi，Yingli Niu，Yuanping Yi，Shaorui Sun，Wenqiang Li，Zhigang Shuai, Journal of Materials Chemistry C 4 (28), 6829-6838
7.Study of Lithium Migration Pathways in the Organic Electrode Materials of Li-Battery by Dispersion-Corrected Density Functional Theory, Yanhui Chen，Shaorui Sun*，Xianyan Wang，Qinghua Shi, The Journal of Physical Chemistry C 119 (46), 25719-25725
8.High Throughput Screening of Organic Electrode Materials for Lithium Battery by Theoretical Method, Shaorui Sun*, Yanhui Chen, Jun Yu, The Journal of Physical Chemistry C 119 (46), 25770-25777
9.Preparation and Catalytic Activity of Au/Ni Bimetallic Nanoparticles for Hydrogen Generation from the Hydrolysis Reaction of Alkaline NaBH4 Solution, Xiaofeng Wang，Yingnan Cao，Shaorui Sun，Zili Huang，Haijun Zhang(*)，Shaowei Zhang, RARE METAL MATERIALS AND ENGINEERING 44 (3), 753-758
10.First-principles study of an ethoxycarbonyl-based organic electrode material of lithium battery, Yanhui Chen, Zeyuan Wu, Shaorui Sun*, The Journal of Physical Chemistry C 118 (38), 21813-21818
11.Preparation and catalytic activity of PVP-protected Au/Ni bimetallic nanoparticles for hydrogen generation from hydrolysis of basic NaBH 4 solution, Xiaofeng Wang，Shaorui Sun，Zili Huang，Haijun Zhang，Shaowei Zhang, International Journal of Hydrogen Energy 39 (2), 905-916
12.Vibration correlation function investigation on the phosphorescence quantum efficiency and spectrum for blue phosphorescent Ir (III) complexQinghua Shi, Qian Peng, Shaorui Sun*, Zhigang Shuai, ACTA CHIMICA SINICA 71 (6), 884-891
13.The interactions of oxygen with small gold clusters on nitrogen-doped graphene, Xin Chen, Shaorui Sun, Fan Li, Xiayan Wang, Dingguo Xia, Molecules 18 (3), 3279-3291
14.DFT Study of Polyaniline and Metal Composites as Nonprecious Metal Catalysts for Oxygen Reduction in Fuel Cells，Xin Chen, Shaorui Sun* ,Fan Li, Xiayan Wang, and Dingguo Xia ，Journal of Physical Chemistry C, 116 , pp 22737–22742 （2012）
15.Density Functional Theory Study of the Oxygen Reduction Reaction on a Cobalt–Polypyrrole Composite Catalyst, Xin Chen, Fan Li, Xiayan Wang, Shaorui Sun*, and Dingguo Xia ，Journal of Physical Chemistry C, 116 , pp 12553–12558，(2012)
16.Density Functional Theory Study of the Oxygen Reduction Reaction on Metalloporphyrins and Metallophthalocyanines, Shaorui Sun, Ning Jiang, and Dingguo Xia, Journal of Physical Chemistry C, 115，9511-9517 （2011）
17.Stability, Electrochemical Behaviors and Electronic Structures of Iron Hydroxyl-Phosphate, Zhongli Wang, Shaorui Sun, Fan Li, Ge Chen, Dingguo Xia‚Ting Zhao, Wangsheng Chu, Ziyu Wu;Materials Chemistry and Physics, 123， 28-34 （2010）
18.Theoretical Study of a New Cathode Material of Li-Battery: Iron Hydroxyl-phosphate；Shao-rui Sun, Zhongli Wang, Ding-guo Xia；Journal of Physical Chemistry C, 114, 587-592 (2010)
19.Protein-Mediated Synthesis of Nanostructured Titania with Different Polymorphs at Room Temperature,Ge Chen, Min Li, Fan Li, Shaorui Sun, Dingguo Xia, Advanced Materials , 22，1258 （2010）
20.The theoretical study of the cationic conductivity of AgBr；Shaorui Sun, Ding-guo Xia； Solid State Ionics 180， 663 （2009）