基本信息
高嶷  男  博导  中国科学院上海应用物理研究所
电子邮件: gaoyi@sinap.ac.cn
通信地址: 中国科学院上海应用物理研究所
邮政编码: 201800

研究领域

计算化学,计算材料学,理论催化,计算生物学

招生信息

现招收硕士、博士研究生、联合培养研究生以及博士后研究人员。
招生专业
070304-物理化学(含:化学物理)
070320-计算机化学
0703J1-纳米科学与技术
招生方向
界面物理与化学
界面水及溶液性质
纳米材料与生物大分子结构与功能

教育背景

1997-09--2002-09 南京大学 理学博士
1992-09--1997-06 南京大学 理学学士

工作经历

   
工作简历
2012-01--今 中国科学院上海应用物理研究所 研究员
2009-11--2011-11 美国内布拉斯加大学林肯分校 研究员
2004-11--2009-11 美国内布拉斯加大学林肯分校 博士后研究员
2002-12--2004-10 香港科技大学 博士后

专利与奖励

   
专利成果
[1] 刘一阳, 鲍洪亮, 刘洪涛, 付晓彬, 高嶷, 钱渊. 一种通过熔盐廉价大规模合成金属团簇的方法. CN: CN113732294A, 2021-12-03.

出版信息

   
发表论文
[1] Zhang, Meng, Han, Yu, Xu, Wenwu, Zhu, Beien, Gao, Yi. Equilibrium Shapes of Ag, Ni, and Ir Nanoparticles under CO Conditions. CATALYSTS[J]. 2023, 13(1): http://dx.doi.org/10.3390/catal13010146.
[2] Wang, Endong, Gao, Yi. H-2 + H2O ? H4O: Synthesizing Hyperhydrogenated Water in Small-Sized Fullerenes?. JOURNAL OF PHYSICAL CHEMISTRY A. 2023, 1190-1195, http://dx.doi.org/10.1021/acs.jpca.2c07279.
[3] Sun, Yuanhe, Zhao, Yuanxin, Lei, Qi, Du, Wei, Yao, Zeying, Zhang, Wei, Si, Jingying, Ren, Zhiguo, Chen, Jige, Gao, Yi, Wen, Wen, Tai, Renzhong, Li, Xiaolong, Zhu, Daming. Initiating Reversible Aqueous Copper-Tellurium Conversion Reaction with High Volumetric Capacity through Electrolyte Engineering. ADVANCED MATERIALS. 2023, [4] Qi, Rui, Zhu, Beien, Han, Zhongkang, Gao, Yi. High-Throughput Screening of Stable Single-Atom Catalysts in CO2 Reduction Reactions. ACS CATALYSIS[J]. 2022, 12(14): 8269-8278, http://dx.doi.org/10.1021/acscatal.2c02149.
[5] Han, Yu, Li, XiaoYan, Zhu, Beien, Gao, Yi. Unveiling the Au Surface Reconstruction in a CO Environment by Surface Dynamics and Ab Initio Thermodynamics. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2022, 126(37): 6538-6547, [6] Liu, Xu, Wang, Endong, Zhou, Meng, Wan, Yan, Zhang, Yuankun, Liu, Haoqi, Zhao, Yue, Li, Jin, Gao, Yi, Zhu, Yan. Asymmetrically Doping a Platinum Atom into a Au-38 Nanocluster for Changing the Electron Configuration and Reactivity in Electrocatalysis. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2022, 61(31): http://dx.doi.org/10.1002/anie.202207685.
[7] Zhou, Qiansong, Zhang, Meng, Zhu, Beien, Gao, Yi. Investigation of the Stability and Hydrogen Evolution Activity of Dual-Atom Catalysts on Nitrogen-Doped Graphene. NANOMATERIALS[J]. 2022, 12(15): http://dx.doi.org/10.3390/nano12152557.
[8] Zhu, Beien, Qi, Rui, Gao, Yi. Reply to the 'Comment on "Real-time atomistic simulation of the Ostwald ripening of TiO2 supported Au nanoparticles"' by V. P. Zhdanov, Nanoscale, 2022, 14, DOI: 10.1039/D1NR05352C. NANOSCALE. 2022, 14(43): 16324-16324, [9] Yu, Famin, Zhu, Yu, Gao, Yang, Wang, Rui, Huang, Wanrong, Gao, Yi, Wang, Zhigang. Direct assembly between closed-shell coinage metal superatoms. NANO RESEARCH[J]. 2022, 15(9): 8665-8672, http://lib.cqvip.com/Qikan/Article/Detail?id=7108115524.
[10] Jiang, Xiankai, Miao, Junjian, Gao, Yi. An Unprecedented Interconversion Between Non-covalent and Covalent Interactions Driven by Halogen Bonding. CHEMPHYSCHEM[J]. 2022, 23(9): http://dx.doi.org/10.1002/cphc.202200001.
[11] Li, Le, Ying, Lei, Lin, Yinyue, Li, Xiaodong, Zhou, Xi, Du, Guanlin, Gao, Yi, Liu, Wenzhu, Lu, Linfeng, Wang, Jilei, Yang, Liyou, Zhang, ShanTing, Li, Dongdong. Effective Hydrogenation Strategies to Boost Efficiency over 20% for Crystalline Silicon Solar Cell with Al2O3/Cu2O Passivating Contact. ADVANCED FUNCTIONAL MATERIALS[J]. 2022, 32(43): http://dx.doi.org/10.1002/adfm.202207158.
[12] Duan, Xinyi, Li, XiaoYan, Zhu, Beien, Gao, Yi. Identifying the morphology of Pt nanoparticles for the optimal catalytic activity towards CO oxidation. NANOSCALE[J]. 2022, 14(47): 17754-17760, [13] Jin, Le, Zhang, Depeng, Zhu, Yu, Yang, Xinrui, Gao, Yi, Wang, Zhigang. A Step-by-Step Process-Induced Unidirectional Oriented Water Wire in the Nanotube. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2021, 12(1): 350-354, [14] Li, Danhui, Zhang, Zhiyuan, Jiang, Wanrun, Zhu, Yu, Gao, Yi, Wang, Zhigang. Uncooperative Effect of Hydrogen Bond on Water Dimer. CHINESE PHYSICS LETTERS[J]. 2021, 38(1): 35-39, http://lib.cqvip.com/Qikan/Article/Detail?id=7104432209.
[15] ZhongKang Han, Debalaya Sarker, Runhai Ouyang, Aliaksei Mazheika, Yi Gao, Sergey V Levchenko. Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence. NATURE COMMUNICATIONS[J]. 2021, 12(1): http://dx.doi.org/10.1038/s41467-021-22048-9.
[16] Sheng, Liping, Li, Songda, Ma, Zhaoxia, Wang, Fei, He, Hu, Gao, Yi, Zhu, Beien, Wang, Yong, Yang, Hangsheng. Mechanistic insight into the influence of O-2 on N2O formation in the selective catalytic reduction of NO with NH3 over Pd/CeO2 catalyst. CATALYSIS SCIENCE & TECHNOLOGY[J]. 2021, 11(5): http://dx.doi.org/10.1039/d0cy02325f.
[17] Chen, Shiyuan, Li, Songda, You, Ruiyang, Guo, Ziyi, Wang, Fei, Li, Guanxing, Yuan, Wentao, Zhu, Beien, Gao, Yi, Zhang, Ze, Yang, Hangsheng, Wang, Yong. Elucidation of Active Sites for CH4 Catalytic Oxidation over Pd/CeO2 Via Tailoring Metal-Support Interactions. ACS CATALYSIS[J]. 2021, 11(9): 5666-5677, http://dx.doi.org/10.1021/acscatal.1c00839.
[18] Meng, Jun, Zhu, Beien, Gao, Yi. Structure reconstruction of metal/alloy in reaction conditions: a volcano curve?. FARADAY DISCUSSIONS[J]. 2021, 229: 62-74, http://dx.doi.org/10.1039/c9fd00128j.
[19] Rongtan Li, Xiaoyan Xu, Beien Zhu, XiaoYan Li, Yanxiao Ning, Rentao Mu, Pengfei Du, Mengwei Li, Huike Wang, Jiajie Liang, Yongsheng Chen, Yi Gao, Bing Yang, Qiang Fu, Xinhe Bao. In situ identification of the metallic state of Ag nanoclusters in oxidative dispersion. NATURE COMMUNICATIONS[J]. 2021, 12(1): https://doaj.org/article/60f6963765c34bf8ab15f98ae47eeb4e.
[20] Yi Gao. Pauli Repulsion Enhanced Mobility of Ultraconfined Water. ACS Nano. 2021, [21] Yuan, Wentao, Zhu, Beien, Fang, Ke, Li, XiaoYan, Hansen, Thomas W, Ou, Yang, Yang, Hangsheng, Wagner, Jakob B, Gao, Yi, Wang, Yong, Zhang, Ze. In situ manipulation of the active Au-TiO2 interface with atomic precision during CO oxidation. SCIENCE[J]. 2021, 371(6528): 517-+, http://dx.doi.org/10.1126/science.abe3558.
[22] Wang, Endong, Zhu, Beien, Gao, Yi. Discontinuous transition between Zundel and Eigen for H5O2+*. CHINESE PHYSICS B[J]. 2020, 29(8): 54-58, http://dx.doi.org/10.1088/1674-1056/ab973d.
[23] Zhang, Xiaoben, Han, Shaobo, Zhu, Beien, Zhang, Guanghui, Li, Xiaoyan, Gao, Yi, Wu, Zhaoxuan, Yang, Bing, Liu, Yuefeng, Baaziz, Walid, Ersen, Ovidiu, Gu, Meng, Miller, Jeffrey T, Liu, Wei. Reversible loss of core-shell structure for Ni-Au bimetallic nanoparticles during CO2 hydrogenation. NATURE CATALYSIS[J]. 2020, 3(4): 411-417, https://www.webofscience.com/wos/woscc/full-record/WOS:000521527900003.
[24] Li, Tongtong, Wang, Rong, Yang, Minghe, Zhao, Shuaishuai, Li, Zhijie, Miao, Junjian, Gao, ZhiDa, Gao, Yi, Song, YanYan. Tuning the surface segregation composition of a PdCo alloy by the atmosphere for increasing electrocatalytic activity. SUSTAINABLE ENERGY & FUELS[J]. 2020, 4(1): 380-386, http://dx.doi.org/10.1039/c9se00620f.
[25] Xu Liu, Wen Wu Xu, Xinyu Huang, Endong Wang, Xiao Cai, Yue Zhao, Jin Li, Min Xiao, Chunfeng Zhang, Yi Gao, Weiping Ding, Yan Zhu. De novo design of Au36(SR)24 nanoclusters. NATURE COMMUNICATIONS[J]. 2020, 11(1): 1-7, Springer_JournalArticle.
[26] Sun, Yuanhe, Zhu, Daming, Liang, Zhaofeng, Zhao, Yuanxin, Tian, Weifeng, Ren, Xiaochuan, Wang, Juan, Li, Xiaoyan, Gao, Yi, Wen, Wen, Huang, Yaobo, Li, Xiaolong, Tai, Renzhong. Facile renewable synthesis of nitrogen/oxygen co-doped graphene-like carbon nanocages as general lithium-ion and potassium-ion battery anodes. CARBON[J]. 2020, 167: 685-695, https://www.webofscience.com/wos/woscc/full-record/WOS:000565244500004.
[27] Zhu, Beien, Meng, Jun, Yuan, Wentao, Zhang, Xun, Yang, Hangsheng, Wang, Yong, Gao, Yi. Reshaping of Metal Nanoparticles Under Reaction Conditions. ANGEWANDTE CHEMIE-INTERNATIONAL EDITIONnull. 2020, 59(6): 2171-2180, http://dx.doi.org/10.1002/anie.201906799.
[28] Bhalkikar, Anuja, Wu, TaiSing, Fisher, Tamra J, Sarella, Anandakumar, Zhang, Dawei, Gao, Yi, Soo, YunLiang, Cheung, Chin Li. Tunable catalytic activity of gadolinium-doped ceria nanoparticles for pro-oxidation of hydrogen peroxide. NANO RESEARCH[J]. 2020, 13(9): 2384-2392, http://lib.cqvip.com/Qikan/Article/Detail?id=7102790823.
[29] Ruichun Luo, Wen Wu Xu, Yongzheng Zhang, Ziqian Wang, Xiaodong Wang, Yi Gao, Pan Liu, Mingwei Chen. Van der Waals interfacial reconstruction in monolayer transition-metal dichalcogenides and gold heterojunctions. NATURE COMMUNICATIONS[J]. 2020, 11(1): 1-12, https://doaj.org/article/3726740741e34303b7eb752c72119687.
[30] Zhu, Beien, Qi, Rui, Yuan, Lina, Gao, Yi. Real-time atomistic simulation of the Ostwald ripening of TiO(2)supported Au nanoparticles. NANOSCALE[J]. 2020, 12(37): 19142-19148, http://dx.doi.org/10.1039/d0nr04571c.
[31] Yuan, Wentao, Zhu, Beien, Li, XiaoYan, Hansen, Thomas W, Ou, Yang, Fang, Ke, Yang, Hangsheng, Zhang, Ze, Wagner, Jakob B, Gao, Yi, Wang, Yong. Visualizing H2O molecules reacting at TiO2 active sites with transmission electron microscopy. SCIENCE[J]. 2020, 367(6476): 428-+, http://dx.doi.org/10.1126/science.aay2474.
[32] Yuan, Lina, Li, Xiaoyan, Zhu, Beien, Zhang, Guiling, Gao, Yi. Reshaping of Rh nanoparticles in operando conditions. CATALYSIS TODAY[J]. 2020, 350: 184-191, http://dx.doi.org/10.1016/j.cattod.2019.06.033.
[33] Chen, Ligang, Ren, Guanhua, Liu, Liyuan, Guo, Pan, Wang, Endong, Zhu, Zhongjie, Yang, Jinrong, Shen, Jianxiong, Zhang, Zongchang, Zhou, Lu, Zhang, Jianbing, Yang, Bin, Zhang, Weili, Gao, Yi, Zhao, Hongwei, Han, Jiaguang. Probing NaCl hydrate formation from aqueous solutions by terahertz time-domain spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2020, 22(32): 17791-17797, https://www.webofscience.com/wos/woscc/full-record/WOS:000562560400045.
[34] Zhong, JianQiang, Han, ZhongKang, Werner, Kristin, Li, XiaoYan, Gao, Yi, Shaikhutdinov, Shamil, Freund, HansJoachim. Water-Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2020, 59(15): 6150-6154, https://www.webofscience.com/wos/woscc/full-record/WOS:000514239300001.
[35] Yi Gao. Understanding the Chemical Insight of Staple Motifs of Thiolate-Protected Gold Nanoclusters. Small. 2020, [36] Yuanhe Sun, Daming Zhu, Zhaofeng Liang, Yuanxin Zhao, Weifeng Tian, Xiaochuan Ren, Juan Wang, Xiaoyan Li, Yi Gao, Wen Wen, Yaobo Huang, Xiaolong Li, Renzhong Tai. Facile renewable synthesis of nitrogen/oxygen co-doped graphene-like carbon nanocages as general lithium-ion and potassium-ion batteries anode. CARBON. 2020, 167: 685-695, http://dx.doi.org/10.1016/j.carbon.2020.06.046.
[37] Chen, Ligang, Ren, Guanhua, Liu, Liyuan, Guo, Pan, Wang, Endong, Zhou, Lu, Zhu, Zhongjie, Zhang, Jianbing, Yang, Bin, Zhang, Wentao, Li, Yanfeng, Zhang, Weili, Gao, Yi, Zhao, Hongwei, Han, Jiaguang. Terahertz Signatures of Hydrate Formation in Alkali Halide Solutions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS[J]. 2020, 11(17): 7146-7152, https://www.webofscience.com/wos/woscc/full-record/WOS:000569375400030.
[38] Guo, Pan, Gao, Yi. Coalescence of Au Nanoparticles without Ligand Detachment. PHYSICAL REVIEW LETTERS[J]. 2020, 124(6): https://www.webofscience.com/wos/woscc/full-record/WOS:000513240600007.
[39] Zegkinoglou, Ioannis, Pielsticker, Lukas, Han, ZhongKang, Divins, Nuria J, Kordus, David, Chen, YenTing, Escudero, Carlos, PerezDieste, Virginia, Zhu, Beien, Gao, Yi, Roldan Cuenya, Beatriz. Surface Segregation in CuNi Nanoparticle Catalysts During CO2 Hydrogenation: The Role of CO in the Reactant Mixture. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(13): 8421-8428, http://dx.doi.org/10.1021/acs.jpcc.8b09912.
[40] Liu, Xinyi, Yang, Deheng, Li, Yadong, Gao, Yi, Liu, WeiTao. Anisotropic Adsorption of 2-Phenylethyl Alcohol on a Rutile (110) Surface. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(49): 29759-29764, https://www.webofscience.com/wos/woscc/full-record/WOS:000503114100026.
[41] Du, Jifeng, Meng, Jun, Li, XiaoYan, Zhu, Beien, Gao, Yi. Multiscale atomistic simulation of metal nanoparticles under working conditions. NANOSCALE ADVANCESnull. 2019, 1(7): 2478-2484, https://www.webofscience.com/wos/woscc/full-record/WOS:000478576700001.
[42] Wu, Zhemin, Tang, Min, Li, Xiaoyan, Luo, Sai, Yuan, Wentao, Zhu, Beien, Zhang, Hui, Yang, Hangsheng, Gao, Yi, Wang, Yong. Surface faceting and compositional evolution of Pd@ Au core- shell nanocrystals during in situ annealing. PHYSICAL CHEMISTRY CHEMICAL PHYSICS[J]. 2019, 21(6): 3134-3139, http://dx.doi.org/10.1039/c8cp07576j.
[43] Meng, Jun, Hou, Chengyi, Wang, Hongzhi, Chi, Qijin, Gao, Yi, Zhu, Beien. Oriented attachment growth of monocrystalline cuprous oxide nanowires in pure water. NANOSCALE ADVANCES[J]. 2019, 1(6): 2174-2179, [44] Chen, Shuang, Bie, Jie, Fa, Wei, Zha, Yucheng, Gao, Yi, Zeng, Xiao Cheng. Iron Clusters Embedded in Graphene Nanocavities: Heat-Induced Structural Evolution and Catalytic C-C Bond Breaking. ACS APPLIED NANO MATERIALS[J]. 2019, 2(1): 535-545, [45] Yi Gao. Unexpected Strong Xe Binding by Host-Guest Interaction. Phyiscal Chemistry Chemical Physics. 2019, [46] Yang, Daibei, Luo, Lingheng, Gao, Yi, Chen, Shuang, Zeng, Xiao Cheng. Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity. MATERIALS HORIZONS[J]. 2019, 6(7): 1463-1473, [47] Chmielewski, Adrian, Meng, Jun, Zhu, Beien, Gao, Yi, Guesmi, Hazar, Prunier, Helene, Alloyeau, Damien, Wang, Guillaume, Louis, Catherine, Delannoy, Laurent, Afanasiev, Pavel, Ricolleau, Christian, Nelayah, Jaysen. Reshaping Dynamics of Gold Nanoparticles under H-2 and O-2 at Atmospheric Pressure. ACS NANO[J]. 2019, 13(2): 2024-2033, https://www.webofscience.com/wos/woscc/full-record/WOS:000460199400101.
[48] Yang, Jinrong, Li, Lei, Wang, Shixian, Li, Hui, Francisco, Joseph S, Zeng, Xiao Cheng, Gao, Yi. Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze: Gaseous NO2 with Aqueous HSO3-/SO32-. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2019, 141(49): 19312-19320, https://www.webofscience.com/wos/woscc/full-record/WOS:000502687800020.
[49] Yang, DaiBei, Jian, ZhiBin, Gao, Yi, Chen, Shuang. Computational discovery of weak-intermolecular-interaction-tuning ferroelectricity/ferroelasticity of pure organic rotator-stator-type assemblies designed through a symmetry/structure-limited structure search. MOLECULAR SYSTEMS DESIGN & ENGINEERING[J]. 2019, 4(6): 1136-1144, https://www.webofscience.com/wos/woscc/full-record/WOS:000503260000005.
[50] Yu, Jian, Li, XiaoYan, Miao, Junjian, Yuan, Wentao, Zhou, Shihui, Zhu, Beien, Gao, Yi, Yang, Hangsheng, Zhang, Ze, Wang, Yong. Atomic Mechanism in Layer-by-Layer Growth via Surface Reconstruction. NANO LETTERS[J]. 2019, 19(6): 4205-4210, http://dx.doi.org/10.1021/acs.nanolett.9b01934.
[51] Zhao, Zheng, Xu, Haoxiang, Gao, Yi, Cheng, Daojian. Universal description of heating-induced reshaping preference of core-shell bimetallic nanoparticles. NANOSCALE[J]. 2019, 11(3): 1386-1395, [52] Zhang, Dawei, Han, ZhongKang, Murgida, Gustavo E, Veronica GandugliaPirovano, M, Gao, Yi. Oxygen-Vacancy Dynamics and Entanglement with Polaron Hopping at the Reduced CeO2(111) Surface. PHYSICAL REVIEW LETTERS[J]. 2019, 122(9): [53] Sun, Yongnan, Wang, Endong, Ren, Yujing, Xiao, Kang, Liu, Xu, Yang, Dan, Gao, Yi, Ding, Weiping, Zhu, Yan. The Evolution in Catalytic Activity Driven by Periodic Transformation in the Inner Sites of Gold Clusters. ADVANCED FUNCTIONAL MATERIALS[J]. 2019, 29(38): [54] Yang, Jinrong, Gao, Yi. A dipole-dipole interaction tuning the photoluminescence of silicon quantum dots in a water vapor environment. NANOSCALE[J]. 2019, 11(4): 1790-1797, [55] Han, ZhongKang, Zhang, Lei, Liu, Meilin, GandugliaPirovano, Maria Veronica, Gao, Yi. The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain (vol 7, 436, 2019). FRONTIERS IN CHEMISTRYnull. 2019, 7: [56] Meng, Jun, Zhu, Beien, Gao, Yi. Surface Composition Evolution of Bimetallic Alloys under Reaction Conditions. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2019, 123(46): 28241-28247, [57] Han, ZhongKang, Zhang, Lei, Liu, Meilin, Veronica GandugliaPirovano, Maria, Gao, Yi. The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain. FRONTIERS IN CHEMISTRY[J]. 2019, 7: https://doaj.org/article/03a6660c5b6e4720b135b452737573f1.
[58] Hu Jun, Gao Yi. Interfacial water and catalysis. ACTA PHYSICA SINICA[J]. 2019, 68(1): [59] Yi Gao. The Evolution in Catalytic Activity Driven by Periodic Transformation in the Inner Sites of Au8n+4(SR)4n+8 Nanoclusters. Advanced Functional Materials. 2019, [60] Li, XiaoYan, Zhu, Beien, Qi, Rui, Gao, Yi. Real-Time Simulation of Nonequilibrium Nanocrystal Transformations. ADVANCED THEORY AND SIMULATIONS[J]. 2019, 2(1): https://www.webofscience.com/wos/woscc/full-record/WOS:000455107500013.
[61] Xu, Wen Wu, Zeng, Xiao Cheng, Gao, Yi. The structural isomerism in gold nanoclusters. NANOSCALE[J]. 2018, 10(20): 9476-9483, https://www.webofscience.com/wos/woscc/full-record/WOS:000433260300007.
[62] Miao, Junjian, Xiong, Zhenhai, Gao, Yi. The effects of aerogen-bonding on the geometries and spectral properties of several small molecular clusters containing XeO3. JOURNAL OF PHYSICS-CONDENSED MATTER[J]. 2018, 30(44): https://www.webofscience.com/wos/woscc/full-record/WOS:000447049500001.
[63] Zhang, Depeng, Zhang, Zhiyuan, Jiang, Wanrun, Gao, Yi, Wang, Zhigang. Effect of confinement on water rotation via quantum tunnelling. NANOSCALE[J]. 2018, 10(39): 18622-18626, https://www.webofscience.com/wos/woscc/full-record/WOS:000448421100021.
[64] Gao, Yi, Zhu, Beien. Structural evolution of metal nanoparticles in operando conditions. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETYnull. 2018, 256: https://www.webofscience.com/wos/woscc/full-record/WOS:000447600002028.
[65] Peng, Tianhuan, Miao, Junjian, Gao, Zhaoshuai, Zhang, Linjuan, Gao, Yi, Fan, Chunhai, Li, Di. Reactivating Catalytic Surface: Insights into the Role of Hot Holes in Plasmonic Catalysis. SMALL[J]. 2018, 14(12): http://dx.doi.org/10.1002/smll.201703510.
[66] Xu, Wen Wu, Zeng, Xiao Cheng, Gao, Yi. Application of Electronic Counting Rules for Ligand-Protected Gold Nanoclusters. ACCOUNTS OF CHEMICAL RESEARCHnull. 2018, 51(11): 2739-2747, https://www.webofscience.com/wos/woscc/full-record/WOS:000451245900016.
[67] Xu Wenwu, Gao Yi. Thiolate-Protected Hollow Gold Nanospheres. ACTA PHYSICO-CHIMICA SINICA[J]. 2018, 34(7): 770-775, https://www.webofscience.com/wos/woscc/full-record/WOS:000429142800008.
[68] Jiang, Xiankai, Gao, Yi, Lal, Ratnesh, Hu, Jun, Song, Bo. Asymmetry induces Q-band split in the electronic excitations of magnesium porphyrin. MOLECULAR PHYSICS[J]. 2018, 116(13): 1697-1705, http://dx.doi.org/10.1080/00268976.2018.1444207.
[69] Yuan, Wentao, Meng, Jun, Zhu, Beien, Gao, Yi, Zhang, Ze, Sun, Chenghua, Wang, Yong. Unveiling the Atomic Structures of the Minority Surfaces of TiO2 Nanocrystals. CHEMISTRY OF MATERIALS[J]. 2018, 30(1): 288-295, https://www.webofscience.com/wos/woscc/full-record/WOS:000419999400030.
[70] Xu Wenwu, Gao Yi. 巯基保护的中空金纳米球. 物理化学学报[J]. 2018, 34(7): 770-775, http://lib.cqvip.com/Qikan/Article/Detail?id=675491462.
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[147] Gao, Yi, Shao, Nan, Pei, Yong, Chen, Zhongfang, Zeng, Xiao Cheng. Catalytic Activities of Subnanometer Gold Clusters (Au-16-Au-18, Au-20, and Au-27-Au-35) for CO Oxidation. ACS NANO[J]. 2011, 5(10): 7818-7829, http://dx.doi.org/10.1021/nn201817b.
[148] Yi Gao. Probing the Structure Evolution of Medium-Sized Gold Clusters: Aun- (n=27 to 35). Journal of the American Chemical Society. 2010, [149] Wu, Menghao, Wu, Xiaojun, Gao, Yi, Zeng, Xiao Cheng. Patterned Hydrogenation of Graphene: Magnetic Quantum Dot Array. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2010, 114(1): 139-142, https://www.webofscience.com/wos/woscc/full-record/WOS:000273268600021.
[150] Pei, Yong, Shao, Nan, Gao, Yi, Zeng, Xiao Cheng. Investigating Active Site of Gold Nanoparticle Au-55(PPh3)(12)Cl-6 in Selective Oxidation. ACS NANO[J]. 2010, 4(4): 2009-2020, https://www.webofscience.com/wos/woscc/full-record/WOS:000276956800033.
[151] Yi Gao. Icosahedral Crown Gold Nanocluster Au43Cu12 with High Catalytic Activities. Nano Letters. 2010, [152] Yi Gao. Search for Lowest-Energy Nonclassical Fullerene III: C22. The Journal of Physical Chemistry A. 2009, [153] Shao, Nan, Pei, Yong, Gao, Yi, Zeng, Xiao Cheng. Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2009, 113(4): 629-632, https://www.webofscience.com/wos/woscc/full-record/WOS:000262665300001.
[154] Gao, Yi, Huang, Wei, Woodford, Jeffrey, Wang, LaiSheng, Zeng, Xiao Cheng. Detecting Weak Interactions between Au- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2009, 131(27): 9484-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000268239400008.
[155] Yi Gao. Investigating Active Site of Gold Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation. ACS Nano. 2009, [156] Pei, Yong, Gao, Yi, Shao, Nan, Zeng, Xiao Cheng. Thiolate-Protected Au-20(SR)(16) Cluster: Prolate Au-8 Core with New Au-3(SR)(4) Staple Motif. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2009, 131(38): 13619-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000270186600026.
[157] Zhang, Xiuyun, Wang, Jinlan, Gao, Yi, Zeng, Xiao Cheng. Ab Initio Study of Structural and Magnetic Properties of TMn(ferrocene)(n+1) (TM = Sc, Ti, V, Mn) Sandwich Clusters and Nanowires (n = infinity). ACS NANO[J]. 2009, 3(3): 537-545, [158] Wu, Menghao, Wu, Xiaojun, Gao, Yi, Zeng, X C. Materials design of half-metallic graphene and graphene nanoribbons. APPLIED PHYSICS LETTERS[J]. 2009, 94(22): https://www.webofscience.com/wos/woscc/full-record/WOS:000266674300056.
[159] Pei, Yong, Gao, Yi, Zeng, Xiao Cheng. Structural prediction of thiolate-protected Au-38: A face-fused bi-icosahedral Au core. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2008, 130(25): 7830-+, https://www.webofscience.com/wos/woscc/full-record/WOS:000256962000028.
[160] Gao, Yi, Shao, Nan, Bulusu, Satya, Zeng, X C. Effective CO oxidation on endohedral gold-cage nanoclusters. JOURNAL OF PHYSICAL CHEMISTRY C[J]. 2008, 112(22): 8234-8238, https://www.webofscience.com/wos/woscc/full-record/WOS:000256265100025.
[161] Gao, Yi, Shao, Nan, Zeng, X C. Medium-sized double magic metal clusters: Al@Cu-54(-) and Al@Ag-54(-). JOURNAL OF CHEMICAL PHYSICS[J]. 2008, 129(8): https://www.webofscience.com/wos/woscc/full-record/WOS:000259008900029.
[162] Gao, Yi, Shao, Nan, Zeng, Xiao Cheng. Ab initio study of thiolate-protected Au-102 nanocluster. ACS NANO[J]. 2008, 2(7): 1497-1503, http://dx.doi.org/10.1021/nn800268w.
[163] Gao, Yi, Zeng, X C. Ab initio study of hydrogen adsorption on benzenoid linkers in metal-organic framework materials. JOURNAL OF PHYSICS-CONDENSED MATTER[J]. 2007, 19(38): https://www.webofscience.com/wos/woscc/full-record/WOS:000249255400022.
[164] Gao, Yi, Bulusu, Satya, Zeng, Xiao Cheng. A global search of highly stable gold-covered bimetallic clusters M@Au-n (n=8-17): Endohedral gold clusters. CHEMPHYSCHEM[J]. 2006, 7(11): 2275-2278, https://www.webofscience.com/wos/woscc/full-record/WOS:000242319200003.
[165] Gao, Y, Zeng, XC. M-4@Si-28 (M=Al,Ga): Metal-encapsulated tetrahedral silicon fullerene. JOURNAL OF CHEMICAL PHYSICS[J]. 2005, 123(20): https://www.webofscience.com/wos/woscc/full-record/WOS:000233661000043.
[166] Gao, Y, Zeng, XC. AU(42): An alternative icosahedral golden fullerene cage. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2005, 127(11): 3698-3699, https://www.webofscience.com/wos/woscc/full-record/WOS:000227738700027.
[167] Yi Gao. Crystalline ice grown on the surface of the ferroelectric polymer poly-vinylidene fluoride and trifluoroethylene. 2005, [168] Yi Gao. Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity. Journal of the American Chemical Society. 2005, [169] Gao, Y, Liu, CG, Jiang, YS. Electronic structure of thiophene oligomer dications: An alternative interpretation from the spin-unrestricted DFT study. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2002, 106(21): 5380-5384, [170] Gao, Y, Liu, CG, Jiang, YS. The valence bond study for benzenoid hydrocarbons of medium to infinite sizes. JOURNAL OF PHYSICAL CHEMISTRY A[J]. 2002, 106(11): 2592-2597, https://www.webofscience.com/wos/woscc/full-record/WOS:000174551200026.
[171] Xu, Wen Wu, Zeng, Xiao Cheng, Gao, Yi. Au13(8e): A Secondary Block for Describing a Special Group of Liganded Gold Clusters Containing Icosahedral Au13 Motifs. http://arxiv.org/abs/1701.05960.

科研活动

   
参与会议
(1) Controllable Design of Gold Nanocatalysts,全国青年化学物理学家论坛,2012-07,高嶷
(2) Explore the Catalytic Activities of Medium-Sized Gold Clusters,2012-06,高嶷
(3) Theoretical Study of Au Nanoclusters’ Structural Evolution and Their Catalytic Activities,2012-04,高嶷
(4) CO Oxidation on Gold Nanoclusters Size-effect or Not,2011-03,Yi Gao, Nan Shao, Xiao Cheng Zeng
(5) Theoretical Exploration of Diamond Surface Controlling Mechanism and Some Precursors Suggestion,2010-03,高嶷