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Stability and NMR Chemical Shift of Amorphous Precursors of Methane Hydrate: Insights from Disper...[J],Journal of Physical Chemistry B,2021,125:431-441
Effcient Photoexcited Charge Separation at the Interface of a Novel 0D/2D Heterojunction: A Time-...[J],Journal of Physical Chemistry Letters,2021,12:2312-2319
Huang, Yingying.A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate ...[J],SCIENCE ADVANCES,2021,2(2):e1501010
Tang, Lingli.Nonstandard cages in the formation process of methane clathrate: Stability, structure, and spec...[J],JOURNAL OF CHEMICAL PHYSICS,2021,136(22):224508
Wang Peng-Ju.Energetic potential of hexogen constructed by machine learning[J],ACTA PHYSICA SINICA,2021,69(23)
Sun, Yuanze.Surface-enhanced resonance Raman detection of 1,1-diamino-2,2-dinitroethylene (FOX-7) on metal-...[J],JOURNAL OF RAMAN SPECTROSCOPY,2021,51(12):2425-2434
尹志鹏.Low-temperature re-oxidation of near-interface defects and voltage stability in SiC MOS capacitor...[J],Applied Surface Science,2021,31(30):147312-147312
Wang, Rui.Bipolar Doping by Intrinsic Defects and Magnetic Phase Instability in Monolayer CrI3[J],CHEMISTRY OF MATERIALS,2021,32(4):1545-1552
Yang, Chao,Yin, Zhipeng,Zhang, Fanglong,Su, Yan,Qin, Fuwen,Wang, Dejun.Synergistic passivation effects of nitrogen plasma and oxygen plasma on improving the interface...[J],APPLIED SURFACE SCIENCE,2020,513
Su, Yan,Fan, Junyu,Zheng, Zhaoyang,Zhao, Jijun.Uniaxial compression behavior and spectroscopic properties of energetic 1, 1-diamino-2,2-dinitr...[J],PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL,2019,29(3,SI):329-334
Wang, Pengju,Shi, Ruili,Tang, Lingli,Huang, Xiaoming,Zhao, Jijun,Su, Yan.Hydrated Sodium Ion Clusters [Na+(H2O)(n) (n=1-6)]: An ab initio Study on Structures and Non-co...[J],FRONTIERS IN CHEMISTRY,2019,7:624
Zhang, Yi-Jie,Yin, Zhi-Peng,Su, Yan,Wang, De-Jun.Passivation of carbon dimer defects in amorphous SiO2/4H-SiC(0001) interface: A first-principle...[J],CHINESE PHYSICS B,2018,27(4)
Liu, Yanming,Su, Yan,Quan, Xie,Fan, Xinfei,Chen, Shuo,Yu, Hongtao,Zhao, Huimin,Zhang, Yaobin,Zhao, Jijun.Facile Ammonia Synthesis from Electrocatalytic N-2 Reduction under Ambient Conditions on N-Dope...[J],ACS CATALYSIS,2018,8(2):1186-1191
刘艳明,苏艳,全燮,陈硕,于洪涛,赵慧敏,张耀斌.Facile ammonia synthesis from electrocatalytic N2 Reduction under ambient conditions on N？doped ...[J],ACS Catalysis,2018,8:1186-1191
苏艳,赵纪军.Uniaxial compression behavior and spectroscopic properties of the explosive pentaerythritol tetra...[J],Computational Materials Science,2018,152:392-398
Zhao, Kun,Su, Yan,Quan, Xie,Liu, Yanming,Chen, Shuo,Yu, Hongtao.Enhanced H2O2 production by selective electrochemical reduction of O-2 on fluorine-doped hierar...[J],JOURNAL OF CATALYSIS,2018,357:118-126
Li, Keyao,Shi, Ruili,Huang, Yingying,Tang, Lingli,Cao, Xiaoxiao,Su, Yan,Zhao, Jijun.Dissociation mechanism of propane hydrate with methanol additive: A molecular dynamics simulati...[J],COMPUTATIONAL AND THEORETICAL CHEMISTRY,2018,1123:79-86
Shi, Ruili,Wang, Pengju,Tang, Lingli,Chen, Yonggang,Su, Yan,Zhao, Jijun,Huang, Xiaoming.Structures and Spectroscopic Properties of F-(H2O) n with n = 1-10 Clusters from a Global Search ...[J],The journal of physical chemistry. A,2018,122(13):3413-3422
Shi, Ruili,Li, Keyao,Su, Yan,Huang, Xiaoming,Sai, Linwei,Zhao, Jijun,Tang, Lingli.Revisit the landscape of protonated water clusters H+(H2O)n with n = 10-17: An ab initio global s...[J],The Journal of chemical physics,2018,148(17):174305
Liu, Yanming,Fan, Xinfei,Su, Yan,Chen, Shuo,Zhao, Huimin,Zhang, Yaobin,Hoffmann, Michael R.,Zhang, Yujing,Cheng, Kai,Quan, Xie,Yu, Hongtao.Selective Electrochemical Reduction of Carbon Dioxide to Ethanol on a Boron- and Nitrogen-Co-do...[J],ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2017,56(49):15607-15611
Liu Yanming,Yu Hongtao,Hoffmann Michael R,Zhang Yujing,Chen Kai,Quan Xie,Fan Xinfei,Su Yan,Chen Shuo,Zhao Huimin,Zhang Yaobin.Selective electrochemical reduction of CO2 to ethanol on B and N codoped nanodiamond[J],Angewandte Chemie (International ed. in English),2017
Cao, Xiaoxiao,Huang, Yingying,Jiang, Xue,Su, Yan,Zhao, Jijun.Phase diagram of water-methane by first-principles thermodynamics: discovery of MH-IV and MH-V ...[J],PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(24):15996-16002
Fan, Jun-Yu,Zheng, Zhao-Yang,Su, Yan,Zhao, Ji-Jun.Assessment of dispersion correction methods within density functional theory for energetic mate...[J],2nd Molecular Simulation Conference,2017,43(7):568-574
Shi, Ruili,Huang, Xiaoming,Su, Yan,Si, Hai-Gang,Lo, Si-Dian,Tang, Lingli,Zhao, Jijun.Which Density Functional Should Be Used to Describe Protonated Water Clusters?[J],JOURNAL OF PHYSICAL CHEMISTRY A,2017,121(16):3117-3127
Cheng, Kai,Zhao, Jijun,Zhang, Junfeng,Su, Yan,Han, Nannan,Guo, Yu.Lateral heterostructures of monolayer group-IV monochalcogenides: band alignment and electronic...[J],JOURNAL OF MATERIALS CHEMISTRY C,2017,5(15):3788-3795
Cheng, Kai,Han, Nannan,Su, Yan,Zhang, Junfeng,Zhao, Jijun.Schottky barrier at graphene/metal oxide interfaces: insight from first-principles calculations[J],Scientific Reports,2017,7:41771
苏艳,赵纪军.First-principle simulation of solid nitrobenzene under uniaxial compression[J],ACTA PHYSICA SINICA,2017,66(3):36101-36101
Li, Fen,Su, Yan,Zhao, Jijun.Shuttle inhibition by chemical adsorption of lithium polysulfides in B and N co-doped graphene ...[J],PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(36):25241-25248
Zhao, Jijun,Shi, Ruili,Sai, Linwei,Huang, Xiaoming,Su, Yan.Comprehensive genetic algorithm for ab initio global optimisation of clusters[J],MOLECULAR SIMULATION,2016,42(10,SI):809-819
王鹏举,石瑞丽,刘澍,王奕钧,苏艳,赵纪军.水合钠离子团簇的第一性原理研究[A],2016,1-1
Wang, Yanxin,Su, Yan,Kang, Lihua.Stability and nucleation of Ir-n (n=1-5) clusters on different gamma-Al2O3 surfaces: A density ...[J],PHYSICS LETTERS A,2016,380(5-6):718-725
Cao, Xiaoxiao,Huang, Yingying,Li, Wenbo,Zheng, Zhaoyang,Jiang, Xue,Su, Yan,Zhao, Jijun,Liu, Changling.Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles the...[J],PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(4):3272-3279
黄晓明,苏艳,赵纪军.Magnetic Anisotropy of Small Irn Clusters (n=2–5)[J],Journal of Cluster Science,2016,27(9):935-946
Tang, Lingli,Shi, Ruili,Su, Yan,Zhao, Jijun.Structures, Stabilities, and Spectra Properties of Fused CH4 Endohedral Water Cage (CH4)(m)(H2O...[J],JOURNAL OF PHYSICAL CHEMISTRY A,2015,119(44):10971-10979
Zhao, Jijun,Huang, Xiaoming,Shi, Ruili,Liu, Hongsheng,Su, Yan,King, R. Bruce.B-28: the smallest all-boron cage from an ab initio global search[J],NANOSCALE,2015,7(37):15086-15090
Huang, Yingying,Liu, Yuan,Su, Yan,Zhao, Jijun.Dissociation mechanism of gas hydrates (I, II, H) of alkane molecules: a comparative molecular ...[J],MOLECULAR SIMULATION,2015,41(13):1086-1094
黄晓明,梁晓庆,苏艳,赵纪军.合金团簇结构和磁性的第一性原理研究[A],2015,223-223
Wang, Yanxin,Su, Yan,Zhu, Mingyuan,Kang, Lihua.Mechanism of CO methanation on the Ni-4/gamma-Al2O3 and Ni3Fe/gamma-Al2O3 catalysts: A density ...[J],INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,2015,40(29):8864-8876
Liang, Xiaoqing,Huang, Xiaoming,Zhao, Jijun,Su, Yan.Structures and electronic properties of neutral and anionic Ca-n (n=2-22) clusters[J],CHEMICAL PHYSICS LETTERS,2015,634:255-260
Cao, Xiaoxiao,Zhao, Jijun,Su, Yan.Stability and Vibrations of Guest Molecules in the Type II Clathrate Hydrate: A First-Principle...[J],JOURNAL OF PHYSICAL CHEMISTRY A,2015,119(27):7063-7069
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