基本信息
孙宜阳  男  博导  中国科学院上海硅酸盐研究所
电子邮件: yysun@mail.sic.ac.cn
通信地址: 上海市嘉定区和硕路585号
邮政编码: 201899

招生信息

   
招生专业
080501-材料物理与化学
070304-物理化学
招生方向
无机功能材料中的缺陷工程
基于第一性原理计算的新能源材料设计

教育背景

2000-07--2004-09   新加坡国立大学物理系   博士学位
1996-09--1999-06   厦门大学物理系   硕士学位
1992-09--1996-06   吉林大学材料科学系   学士学位

工作经历

   
工作简历
2017-03~现在, 中国科学院上海硅酸盐研究所, 研究员
2015-02~2018-02,美国伦斯勒理工学院物理系, 研究科学家
2010-02~2015-02,美国伦斯勒理工学院物理系, 研究助理教授
2008-02~2010-02,美国伦斯勒理工学院物理系, 博士后
2006-10~2008-01,美国可再生能源国家实验室, 博士后
2004-09~2006-09,新加坡国立大学物理系, 博士后

出版信息

   
发表论文
[1] Chen, Jie, Xie, Weiyu, Li, Kaihang, Sun, YiYang. Revised local atomic potential method for predicting properties of energetic materials. JOURNAL OF ENERGETIC MATERIALS. 2021, http://dx.doi.org/10.1080/07370652.2021.1877851.
[2] Ma, Zhirui, Yang, Ke, Lian, Xu, Sun, Shuo, Gu, Chengding, Zhang, Jia Lin, West, Damien, Zhang, Shengbai, Liu, Lei, Yuan, Kaidi, Sun, YiYang, Li, Hexing, Chen, Wei. Polarity- and Pressure-Dependent Hydrogen Dynamics on ZnO Polar Surfaces Revealed by Near-Ambient-Pressure X-ray Photoelectron Spectroscopy. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(46): 25431-25436, https://www.webofscience.com/wos/woscc/full-record/WOS:000592958800029.
[3] Chai, Jun, Shao, Zewei, Wang, Han, Ming, Chen, Oh, Wanseok, Ye, Tang, Zhang, Yong, Cao, Xun, Jin, Ping, Zhang, Shengbai, Sun, YiYang. Ultrafast processes in photochromic material YHxOy studied by excited-state density functional theory simulation. SCIENCE CHINA-MATERIALS[J]. 2020, 63(8): 1579-1587, https://www.webofscience.com/wos/woscc/full-record/WOS:000537359200002.
[4] Chen, Ke, Song, Meng, Sun, YiYang, Xu, Hai, Qi, DongChen, Su, Zhenhuang, Gao, Xingyu, Xu, Qian, Hu, Jun, Zhu, Junfa, Zhang, Ranran, Wang, Jie, Zhang, Lei, Cao, Liang, Han, Yuyan, Xiong, Yimin. Defects controlled doping and electrical transport in TiS2 single crystals. APPLIED PHYSICS LETTERS[J]. 2020, 116(12): https://www.webofscience.com/wos/woscc/full-record/WOS:000522034900001.
[5] Pendse, Saloni, Jiang, Jie, Guo, Yuwei, Zhang, Lifu, Chen, Zhizhong, Lu, Zonghuan, Wang, Yuandong, Hu, Yang, Li, Songman, Feng, Jing, Lu, TohMing, Sun, YiYang, Shi, Jian. Unit-Cell-Thick Oxide Synthesis by Film-Based Scavenging. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(15): 8394-8400, https://www.webofscience.com/wos/woscc/full-record/WOS:000526319300036.
[6] Du, Xiaolong, Qiu, Pengfei, Chai, Jun, Mao, Tao, Hu, Ping, Yang, Jiong, Sun, YiYang, Shi, Xun, Chen, Lidong. Doubled Thermoelectric Figure of Merit in p-Type beta-FeSi2 via Synergistically Optimizing Electrical and Thermal Transports. ACS APPLIED MATERIALS & INTERFACES[J]. 2020, 12(11): 12901-12909, https://www.webofscience.com/wos/woscc/full-record/WOS:000526543400053.
[7] Zhang, Han, Ming, Chen, Yang, Ke, Zeng, Hao, Zhang, Shengbai, Sun, YiYang. Chalcogenide Perovskite YScS(3)as a Potential p-Type Transparent Conducting Material. CHINESE PHYSICS LETTERS[J]. 2020, 37(9): 61-66, http://lib.cqvip.com/Qikan/Article/Detail?id=7103140130.
[8] Chen, Lu, Ding, Dongzhou, Fasoli, Mauro, Wang, Tiantian, Chen, Xiaopu, Zhao, Shuwen, Chen, Jie, Sun, Yiyang, Li, Jiang, Wu, Yuntao, Feng, He. Role of Yttrium in Thermoluminescence of LYSO:Ce Crystals. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2020, 124(32): 17726-17732, http://dx.doi.org/10.1021/acs.jpcc.0c03370.
[9] 陈劼, 谢炜宇, 李开航, 张绳百, 孙宜阳. Benchmarking PBE+D3 and SCAN+rVV10 methods using potential energy surfaces generated with MP2+△CCSD(T)calculation. 中国物理B:英文版. 2020, 29(1): 212-217, http://lib.cqvip.com/Qikan/Article/Detail?id=7101029347.
[10] Sun, Changzhi, Lin, Aming, Li, Wenwen, Jin, Jun, Sun, Yiyang, Yang, Jianhua, Wen, Zhaoyin. In Situ Conversion of Cu3P Nanowires to Mixed Ion/Electron-Conducting Skeleton for Homogeneous Lithium Deposition. ADVANCED ENERGY MATERIALS[J]. 2020, 10(3): https://www.webofscience.com/wos/woscc/full-record/WOS:000498454500001.
[11] Lin, Gaoxin, Wang, Yuandong, Hong, Jinhua, Suenaga, Kazu, Liu, Lijia, Chang, LoYueh, Pao, ChihWen, Zhang, Tao, Zhao, Wei, Huang, Fuqiang, Yang, Minghui, Sun, YiYang, Wang, Jiacheng. Nanoheterostructures of Partially Oxidized RuNi Alloy as Bifunctional Electrocatalysts for Overall Water Splitting. CHEMSUSCHEM[J]. 2020, 13(10): 2739-2744, https://www.webofscience.com/wos/woscc/full-record/WOS:000535041700028.
[12] Ming, Chen, Yang, Ke, Zeng, Hao, Zhang, Shengbai, Sun, YiYang. Octahedron rotation evolution in 2D perovskites and its impact on optoelectronic properties: the case of Ba-Zr-S chalcogenides. MATERIALS HORIZONS[J]. 2020, 7(11): 2985-2993, http://dx.doi.org/10.1039/d0mh01092h.
[13] Fang, Yuqiang, Dong, Qing, Pan, Jie, Liu, Hanyu, Liu, Pan, Sun, Yiyang, Li, Quanjun, Zhao, Wei, Liu, Bingbing, Huang, Fuqiang. Observation of superconductivity in pressurized 2M WSe2 crystals. JOURNAL OF MATERIALS CHEMISTRY C[J]. 2019, 7(28): 8551-8555, https://www.webofscience.com/wos/woscc/full-record/WOS:000479006800007.
[14] Zhang, XiaoPing, Li, YanNi, Sun, YiYang, Zhang, Tao. Inverting the Triiodide Formation Reaction by the Synergy between Strong Electrolyte Solvation and Cathode Adsorption for Lithium-Oxygen Batteries. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2019, 58(51): 18394-18398, https://www.webofscience.com/wos/woscc/full-record/WOS:000494498100001.
[15] Wang, Lei, Zhang, Saifeng, McEvoy, Niall, Sun, Yiyang, Huang, Jiawei, Xie, Yafeng, Dong, Ningning, Zhang, Xiaoyan, Kislyakov, Ivan M, Nunzi, JeanMichel, Zhang, Long, Wang, Jun. Nonlinear Optical Signatures of the Transition from Semiconductor to Semimetal in PtSe2. LASER & PHOTONICS REVIEWS[J]. 2019, 13(8): https://www.webofscience.com/wos/woscc/full-record/WOS:000477560800001.
[16] Wang, Han, Qiu, Zhizhan, Xia, Weiyi, Ming, Chen, Han, Yuyan, Cao, Liang, Lu, Jiong, Zhang, Peihong, Zhang, Shengbai, Xu, Hai, Sun, YiYang. Semimetal or Semiconductor: The Nature of High Intrinsic Electrical Conductivity in TiS2. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2019, 10(22): 6996-7001, http://dx.doi.org/10.1021/acs.jpclett.9b02710.
[17] Chai, Jun, Zheng, Zhaoyang, Pan, Hui, Zhang, Shengbai, Lakshmi, K V, Sun, YiYang. Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective (vol 21, pg 8721, 2019). PHYSICAL CHEMISTRY CHEMICAL PHYSICSnull. 2019, 21(39): 22160-22160, [18] Chai, Jun, Ming, Chen, Du, Xiaolong, Qiu, Pengfei, Sun, YiYang, Chen, Lidong. Thermodynamics, kinetics and electronic properties of point defects in beta-FeSi2 (vol 21, pg 10497, 2019). PHYSICAL CHEMISTRY CHEMICAL PHYSICSnull. 2019, 21(39): 22159-22159, https://www.webofscience.com/wos/woscc/full-record/WOS:000490157000050.
[19] Liang, Jiasheng, Wang, Tuo, Qiu, Pengfei, Yang, Shiqi, Ming, Chen, Chen, Hongyi, Song, Qingfeng, Zhao, Kunpeng, Wei, TianRan, Ren, Dudi, Sun, YiYang, Shi, Xun, He, Jian, Chen, Lidong. Flexible thermoelectrics: from silver chalcogenides to full-inorganic devices. ENERGY & ENVIRONMENTAL SCIENCE[J]. 2019, 12(10): 2983-2990, http://dx.doi.org/10.1039/c9ee01777a.
[20] Agiorgousis, Michael L, Sun, YiYang, Choe, DukHyun, West, Damien, Zhang, Shengbai. Machine Learning Augmented Discovery of Chalcogenide Double Perovskites for Photovoltaics. ADVANCED THEORY AND SIMULATIONS[J]. 2019, 2(5): http://dx.doi.org/10.1002/adts.201800173.
[21] XiaoPing Zhang, YiYang Sun, Zhuang Sun, ChuShu Yang, Tao Zhang. Anode interfacial layer formation via reductive ethyl detaching of organic iodide in lithium–oxygen batteries. Nature Communications[J]. 2019, 10(1): 1-12, http://dx.doi.org/10.1038/s41467-019-11544-8.
[22] Chai, Jun, Zheng, Zhaoyang, Pan, Hui, Zhang, Shengbai, Lakshmi, K V, Sun, YiYang. Significance of hydrogen bonding networks in the proton-coupled electron transfer reactions of photosystem II from a quantum-mechanics perspective. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2019, 21(17): 8721-8728, [23] Chai, Jun, Ming, Chen, Du, Xiaolong, Qiu, Pengfei, Sun, YiYang, Chen, Lidong. Thermodynamics, kinetics and electronic properties of point defects in beta-FeSi2. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2019, 21(20): 10497-10504, http://dx.doi.org/10.1039/c9cp00755e.
[24] Xu, Qiaoling, Yang, Dongwen, Lv, Jian, Sun, YiYang, Zhang, Lijun. Perovskite Solar Absorbers: Materials by Design. SMALL METHODSnull. 2018, 2(5): http://dx.doi.org/10.1002/smtd.201700316.
[25] Agiorgousis, Michael L, Sun, YiYang, West, Damien, Zhang, Shengbai. Intercalated Chevrel Phase Mo6S8 as a Janus Material for Energy Generation and Storage. ACS APPLIED ENERGY MATERIALS[J]. 2018, 1(2): 440-446, http://dx.doi.org/10.1021/acsaem.7b00092.
[26] Xing, Yunfei, Liu, Ruiheng, Sun, YiYang, Chen, Fan, Zhao, Kunpeng, Zhu, Tiejun, Bai, Shengqiang, Chen, Lidong. Self-propagation high-temperature synthesis of half-Heusler thermoelectric materials: reaction mechanism and applicability. JOURNAL OF MATERIALS CHEMISTRY A[J]. 2018, 6(40): 19470-19478, https://www.webofscience.com/wos/woscc/full-record/WOS:000448413100018.
[27] Wang, Ziying, Sun, YiYang, Abdelwahab, Ibrahim, Cao, Liang, Yu, Wei, Ju, Huanxin, Zhu, Junfa, Fu, Wei, Chu, Leiqiang, Xu, Hai, Loh, Kian Ping. Surface-Limited Superconducting Phase Transition on 1T-TaS2. ACS NANO[J]. 2018, 12(12): 12619-12628, http://ir.ciomp.ac.cn/handle/181722/60122.
[28] Agiorgousis, Michael L, Sun, YiYang, Zhang, Shengbai. The Role of Ionic Liquid Electrolyte in an Aluminum-Graphite Electrochemical Cell. ACS ENERGY LETTERS[J]. 2017, 2(3): 689-693, https://www.webofscience.com/wos/woscc/full-record/WOS:000396385000023.
[29] Zhong, Chengyong, Chen, Yuanping, Xie, Yuee, Sun, YiYang, Zhang, Shengbai. Semi-Dirac semimetal in silicene oxide. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2017, 19(5): 3820-3825, https://www.webofscience.com/wos/woscc/full-record/WOS:000395328100043.
[30] Perera, Samanthe, Hui, Haolei, Zhao, Chuan, Xue, Hongtao, Sun, Fan, Deng, Chenhua, Gross, Nelson, Milleville, Chris, Xu, Xiaohong, Watson, David F, Weinstein, Bernard, Sun, YiYang, Zhang, Shengbai, Zeng, Hao. Chalcogenide perovskites - an emerging class of ionic semiconductors. NANO ENERGY[J]. 2016, 22: 129-135, http://dx.doi.org/10.1016/j.nanoen.2016.02.020.
[31] Lei, Shuangying, Wang, Han, Huang, Lan, Sun, YiYang, Zhang, Shengbai. Stacking Fault Enriching the Electronic and Transport Properties of Few-Layer Phosphorenes and Black Phosphorus. NANO LETTERS[J]. 2016, 16(2): 1317-1322, https://www.webofscience.com/wos/woscc/full-record/WOS:000370215200073.
[32] Sun, YiYang, Shi, Jian, Lian, Jie, Gao, Weiwei, Agiorgousis, Michael L, Zhang, Peihong, Zhang, Shengbai. Discovering lead-free perovskite solar materials with a split-anion approach. NANOSCALE[J]. 2016, 8(12): 6284-6289, http://dx.doi.org/10.1039/c5nr04310g.
[33] Sun, YiYang, Zhang, Shengbai. Kinetics stabilized doping: computational optimization of carbon-doped anatase TiO2 for visible-light driven water splitting. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2016, 18(4): 2776-2783, http://dx.doi.org/10.1039/c5cp07109g.
[34] Sun, YiYang, Zhang, Shengbai. Communication: Effect of accidental mode degeneracy on Raman intensity in 2D materials: Hybrid functional study of bilayer phosphorene. JOURNAL OF CHEMICAL PHYSICS[J]. 2016, 145(2): https://www.webofscience.com/wos/woscc/full-record/WOS:000381153600002.
[35] Zheng, Zhaoyang, Sun, YiYang, Xie, Weiyu, Zhao, Jijun, Zhang, Shengbai. Solvent-Based Atomistic Theory for Doping Colloidal-Synthesized Quantum Dots via Cation Exchange. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2016, 120(47): 27085-27090, https://www.webofscience.com/wos/woscc/full-record/WOS:000389161300054.
[36] Christenson, Sayre G, Xie, Weiyu, Sun, Y Y, Zhang, S B. Carbon as a source for yellow luminescence in GaN: Isolated C-N defect or its complexes. JOURNAL OF APPLIED PHYSICS[J]. 2015, 118(13): http://dx.doi.org/10.1063/1.4932206.
[37] Sun, YiYang, Agiorgousis, Michael L, Zhang, Peihong, Zhang, Shengbai. Chalcogenide Perovskites for Photovoltaics. NANO LETTERS[J]. 2015, 15(1): 581-585, http://www.corc.org.cn/handle/1471x/2269918.
[38] Bang, Junhyeok, Sun, YiYang, West, Damien, Meyer, Bruno K, Zhang, Shengbai. Molecular doping of ZnO by ammonia: a possible shallow acceptor. JOURNAL OF MATERIALS CHEMISTRY C[J]. 2015, 3(2): 339-344, http://dx.doi.org/10.1039/c4tc02209b.
[39] Lucking, Michael, Sun, YiYang, West, Damien, Zhang, Shengbai. A nucleus-coupled electron transfer mechanism for TiO2-catalyzed water splitting. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2015, 17(26): 16779-16783, https://www.webofscience.com/wos/woscc/full-record/WOS:000356874000016.
[40] Lucking, Michael, Sun, YiYang, West, Damien, Zhang, Shengbai. Absolute redox potential of liquid water: a first-principles theory. CHEMICAL SCIENCE[J]. 2014, 5(3): 1216-1220, https://www.webofscience.com/wos/woscc/full-record/WOS:000332189900043.
[41] Sun, Y Y, Abtew, Tesfaye A, Zhang, Peihong, Zhang, S B. Anisotropic polaron localization and spontaneous symmetry breaking: Comparison of cation-site acceptors in GaN and ZnO. PHYSICAL REVIEW B[J]. 2014, 90(16): http://dx.doi.org/10.1103/PhysRevB.90.165301.
[42] YiYang Sun. Strong covalency-induced recombination centers in perovskite solar cell material CH3NH3PbI3. Journal of the American Chemical Society. 2014, [43] Liu, Xin, Sun, Y Y, West, D, Gao, Xingfa, Zhang, S B. Modulation of the Band Gap Increase in Nanocrystals by Surface Passivation. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2014, 118(25): 14026-14030, http://ir.ihep.ac.cn/handle/311005/225145.

科研活动

   
科研项目
( 1 ) 硫族钙钛矿半导体材料中缺陷的第一性原理研究, 主持, 国家级, 2018-01--2021-12
( 2 ) 用于第一性原理计算的范德华力势函数开发, 主持, 院级, 2019-01--2020-12
( 3 ) 上海市高层次人才配套项目, 主持, 省级, 2019-06--2022-05
( 4 ) 面向交通运输领域的 热电能量转换材料与器件技术, 参与, 国家级, 2020-01--2022-12
( 5 ) 贵金属电子浆料用玻璃材料专业数据库建设, 主持, 省级, 2021-01--2023-12

指导学生

现指导学生

丁可达  硕士研究生  080501-材料物理与化学  

王远东  硕士研究生  085204-材料工程  

林啊鸣  硕士研究生  085204-材料工程  

柴骏  博士研究生  080501-材料物理与化学