近五年发表论文
1.Revealing of Active Sites and Catalytic Mechanism in N-cCordinated Fe, Ni Dual-Doped Carbon with Superior Acidic Oxygen Reduction than Single-Atom Catalyst；Yaodan Zhou, Wen Yang, Wellars Utetiwabo, Yimeng Lian, Xue Yin, Lei Zhou, Peiwen Yu, Renjie Chen,Shaorui Sun；The Journal of Physical Chemistry Letters;11, 4, 1404-1410 (2020)（通讯作者）
2.In Situ Observation of Dynamic Galvanic Replacement Reactions in Twinned Metallic Nanowires by Liquid Cell Transmission Electron Microscopy；Chunqiang Zhuang, Heyang Qi, Xing Cheng, Ge Chen, Chunlang Gao, Lihua Wang,Shaorui Sun, Jin Zou, Xiaodong Han；Angewandte Chemie International Edition; 58 (51), 18627-18633 (2019)（通讯作者）
3.Oxygen defect-ridden molybdenum oxide-coated carbon catalysts for Li-O2 battery cathodes;Xuecheng Cao, Xiangjun Zheng, Zhihui Sun, Chao Jin, Jinghua Tian,Shaorui Sun, Ruizhi Yang;Applied Catalysis B: Environmental253, 317-322 (2019)（通讯作者）
4.Theoretical screening of novel electrode materials for lithium–ion batteries from industrial polymers;Huili Lu, Jun Yu, Ge Chen,Shaorui Sun;Ionics25 (9), 4161-4170 (2019)（通讯作者）
5.Density functional theory study for adsorption of oxygen and water molecules on 6H-SiC (0001) surface;Chun-he Fu, Hui-li Lu,Shao-rui Sun;Chinese Journal of Chemical Physics32 (4), 451-456 (2019)（通讯作者）
6.Enhanced photocatalytic N2 fixation by promoting N2 adsorption with a co-catalyst;Xiang Gao, Li An, Dan Qu, Wenshuai Jiang, Yanxiao Chai,Shaorui Sun, Xingyuan Liu, Zaicheng Sun;Science Bulletin64 (13), 918-925 (2019)
7.High Pt utilization efficiency of electrocatalysts for oxygen reduction reaction in alkaline media;Ningqiang Zhang, Lingcong Li, Ya Chu, Lirong Zheng,Shaorui Sun, Guizhen Zhang, Hong He, Jinsheng Zhao;Catalysis Today332, 101-108 (2019)
8.Plasma Hydrogenated TiO2/Nickel Foam as an Efficient Bifunctional Electrocatalyst for Overall Water Splitting;Yong Yan, Xing Cheng, Wanwan Zhang, Ge Chen, Hongyi Li, Alexander Konkin, Zaicheng Sun,Shaorui Sun, Dong Wang, Peter Schaaf;ACS Sustainable Chemistry & Engineering7 (1), 885-894 (2018)（通讯作者）
9.Peering into water splitting mechanism of g-C3N4-carbon dots metal-free photocatalyst;Dan Qu, Juan Liu, Xiang Miao, Mumei Han, Haochen Zhang, Ze Cui,Shaorui Sun, Zhenhui Kang, Hongyou Fan, Zaicheng Sun;Applied Catalysis B: Environmental227, 418-424 (2018)
10.Polyimide electrode materials for Li-ion batteries via dispersion-corrected density functional theory;Huili Lu,Shaorui Sun;Computational Materials Science146, 119-125 (2018)（通讯作者）
11.Poly (ethylene terephthalate): rubbish could be low cost anode material of lithium ion battery;Pengkun Sun, Huili Lu, Wanwan Zhang, Huijiao Wu,Shaorui Sun, Xinyan Liu;Solid State Ionics317, 164-169 (2018)（通讯作者）
12.Thioindigo: A novel cathode material of sodium ion battery predicted through dispersion-corrected density functional theory;Wanwan Zhang, Pengkun Sun, Huijiao Wu,Shaorui Sun;Computational Materials Science143, 255-261 (2018)（通讯作者）
13.Precisely controlled synthesis of α-/β-MnO 2 materials by adding Zn (acac) 2 as a phase transformation-inducing agent;Ningqiang Zhang, Lingcong Li, Jinsheng Zhao, Tingting Yang, Guizhen Zhang, Hong He,Shaorui Sun;Chemical communications54 (12), 1477-1480 (2018)（通讯作者）
14.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 Materiomics3 (3), 184-190 (2017)（通讯作者）
15.Highly active, stable oxidized platinum clusters as electrocatalysts for the hydrogen evolution reaction;Xing Cheng, Yonghe Li, Lirong Zheng, Yong Yan, Yuefei Zhang, Ge Chen,Shaorui Sun, Jiujun Zhang;Energy & Environmental Science10 (11), 2450-2458 (2017)（通讯作者）
16.A theoretical method to predict novel organic electrode materials for Na-ion batteries, Wanwan Zhang, Pengkun Sun,Shaorui Sun*,Computational Materials Science134, 42-47(2017)（通讯作者）
17.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 Materials7 (2)(2017)
18.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,Small12 (6), 793-801 (2016)
19.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 Science125, 278-283 (2016)（通讯作者）
20.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 C4 (28), 6829-6838 (2016)
21.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 C119 (46), 25719-25725 (2015)（通讯作者）
22.High Throughput Screening of Organic Electrode Materials for Lithium Battery by Theoretical Method,Shaorui Sun, Yanhui Chen, Jun Yu,The Journal of Physical Chemistry C119 (46), 25770-25777 (2015)（通讯作者）
