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Xiaonan Zheng, Yu Yan, Xiaoxiao Li, Yang Liu*, Yuan Yao*; Theoretical insights into dissociative-associative mechanism for enhanced electrochemical nitrate reduction to ammonia;Journal of Hazardous Materials,446,2023,130679. https://doi.org/10.1016/j.jhazmat.2022.130679 (IF=14.224, Q1)
Xiaoxiao Li, Yu Yan, Xiaonan Zheng, Yuan Yao*, Yang Liu*; Atomically Dispersed V-N-C Catalyst with Saturated Coordination Effect for Boosting Electrochemical Oxygen Reduction; Chemical Engineering Journal, 2022, 444, 136363. https://doi.org/10.1016/j.cej.2022.136363 (IF=13.273，化工Q1)
Yu Yan#, Xiaonan Zheng#, Xiaoxiao Li, Yuan Yao, Yang Liu*; Vibronic Coupling of Adjacent Single-Atom Co and Zn Sites for Bifunctional Electrocatalysis of Oxygen Reduction and Evolution Reactions; The Journal of Physical Chemistry Letters. 2022,13,2548-2554 https://doi.org/10.1021/acs.jpclett.2c00209 （IF=6.888,化学Q2，原子分子物理Q1）
Yu Yan#, Hongjiao Qu#, Xiaonan Zheng, Kexin Zhao, Xiaoxiao Li, Yuan Yao*, Yang Liu*, Amorphous core/shell Ti-doped SnO2 with synergistically improved N2 adsorption/activation and electrical conductivity for electrochemical N2 reduction. Chinese Chemical Letters,2022,133,4655-4658 https://doi.org/10.1016/j.cclet.2021.12.054 (IF=6.779， 化学Q2)
Zihao Fu, Hong-Bin Xie,* Jonas Elm, Yang Liu, Zhiqiang Fu, and Jingwen Chen， Atmospheric Autoxidation of Organophosphate Esters；Environmental Science & Technology, 2022, 56, 11, 6944–6955 https://doi.org/10.1021/acs.est.1c04817 （IF=11.357, 环境工程Q1）
Xiaonan Zheng, Yang Liu*, Yu Yan, Xiaoxiao Li, Yuan Yao*, Modulation effect in adjacent dual metal single atom catalysts for electrochemical nitrogen reduction reaction. Chinese Chemical Letters, 2022, 33, 1455-1458 (IF=6.779,化学Q2)
Xiaonan Zheng, Yang Liu, Yuan Yao*, Trimetallic single-cluster catalysts for electrochemical nitrogen reduction reaction: Activity prediction, mechanism, and electronic descriptor. Chemical Engineering Journal, 2021, 426, 130745. (IF=13.273，化工Q1)
Xiaonan Zheng, Yuan Yao, Wei Ye, Peng Gao, Yang Liu*, Building up Bimetallic Active Sites for Electrocatalyzing Hydrogen Evolution Reaction under Acidic and Alkaline Conditions. Chemical Engineering Journal, 2021, 413, 128027. (IF=13.273，化工Q1)
Yang Li, Kai Cui, Xuehui Xu, Jie Chen, Yang Liu, Jinzhu Wu, Songtao Lu, Wei Qin,* and Xiaohong Wu*; Understanding the Essential Role of PbI2 Films in a High-Performance Lead Halide Perovskite Photodetector; J. Phys. Chem. C 2020, 124, 15107-15114. (IF=4.309,化学Q2)
Cong Chen, Yang Liu*, Yuan Yao*, Ammonia Synthesis via Electrochemical Nitrogen Reduction Reaction on Iron Molybdate under Ambient Conditions. European Journal of Inorganic Chemistry, 2020,34, 3236-3241. (IF=2.529, 化学Q3)
Win Thi Yein, Qun Wang, Yang Liu, Yang Li, Jiahuang Jian, Xiaohong Wu*; Piezo-potential induced molecular oxygen activation of defect-rich MoS2 ultrathin nanosheets for organic dye degradation in dark; Journal of Environmental Chemical Engineering; 2020, 8,103626. (IF=4.300)
Xiaonan Zheng, Yuan Yao, Ya Wang, Yang Liu*, Tuning the Electronic Structure of Transition Metal Embedded in Nitrogen-doped Graphene for Electrocatalytic Nitrogen Reduction: A first-principles Study; Nanoscale, 2020, 12, 9696–9707 (IF=6.970,化学Q2)
Ya Wang, Yuan Yao, Xiaonan Zheng, Weiqi Li, and Yang Liu*, Pseudo Jahn-Teller Origin of Buckling Deformation of Two-dimensional Group-IV-based Triphosphides as an Anode of Sodium-ion Batteries[J]. The Journal of Physical Chemistry C, 2020, 124(14): 7699-7707 (IF=4.309, 化学Q2)
Jiajia Zhang, Fang Cui*, Linxu Xu, Qinghai Ma, Yiwen Gao, Yang Liu*,Tieyu Cui; Construction of magnetic NiO/C nanosheets derived from coordination polymers for extraordinary adsorption of dyes; Journal of Colloid and Interface Science, 2020 ,561, 542–550（IF=7.489,化学Q1）
Hui Zhang*, Yang Liu*, Xia Du, Xuan Wang, Xiaonan Zheng, Zesheng Li; Effect of SiC nano-size fillers on the aging resistance of XLPE insulation: A first-principles study. Journal of molecular graphics and modeling, 2019 ,93,107438, (IF=1.863)
Yan Chen, Mingyue Zhou, Yuanhua Xia, Xun Wang, Yang Liu, Yuan Yao,Hang Zhang,Yang Li,Songtao Lu, Wei Qin, Xiaohong Wu,* and Qing Wang* ; A Stable and High-Capacity Redox Targeting-Based Electrolyte for Aqueous Flow Batteries; Joule, 2019, 3, 2255-2267.
Xueluer Mua#, Yang Liu# (共一) , Shengsen Liu , Yilin Sun , Nana Lu , Yingxi Lu , Weiqi Li , Xianfeng Zhoua, , Bin Liue, Zhibo Li, A cyanine-derived near-infrared molecular rotor for ratiometric imaging of mitochondrial viscosity in cells；Sensors and Actuators B: Chemical; 2019, 298, 126831 （IF=6.393, 化学Q1）
Ya Wang, Yang Liu*, Isaac B. Bersuker*; Sudden polarization and zwitterions formation as a pseudo Jahn-Teller effect: A new insight in photochemistry of alkenes;Physical Chemistry Chemical Physics,2019, 21, 10677 - 10692. (IF=3.963，化学Q2)
Denghu Chang, Rong Zhao, Congyin Wei, Yuan Yao, Yang Liu, Lei Shi*, Sulfonamide-Directed Chemo- and Site-Selective Oxidative Halogenation/Amination Using Halogenating Reagents Generated in Situ from Cyclic Diacyl Peroxides, Journal of Organic Chemistry, 2018, 83, 3305-3315.
Ya Wang, Yang Liu*, Xiaonan Zheng; Pseudo Jahn-Teller origin tracking for symmetry breaking in halogenabenzene: How can a bird fly? Int J Quantum Chem. 2018, 118, e25704. (IF=2.545)
Dan Zhu, Yuan Yao,Rong Zhao, Yang Liu, and LeiShi*; Metal-Free Geminal Difunctionalization of Diazocarbonyl Compounds: A One-Pot Multicomponent Strategy for the Construction of a,b-Diamino Carbonyl Derivatives；Chemistry- A European Journal 2018, 24, 4805.
Xiaonan Zheng, Yang Liu*, Ya Wang; Electrical Tree Inhibition by SiO2/XLPE nanocomposites: Insights from First-Principles Calculations; Journal of Molecular Modeling, 2018, 24, 200.
Shuwei Song, Hong Zhao*, Xiaonan Zheng, Hui Zhang, Yang Liu*, YingWang and Baozhong Han*; A density functional theory study of the role of functionalized graphene particles as effective additives in power cable insulation; R. Soc. open sci. 2018, 5, 170772.
Rong Zhao, Yuan Yao, Dan Zhu, Denghu Chang, Yang Liu, and Lei Shi; Visible-Light-Enhanced Ring Opening of Cycloalkanols Enabled by Br？nsted Base-Tethered Acyloxy Radical Induced Hydrogen Atom Transfer-Electron Transfer; Org. Lett. 2018, 20, 1228？1231 (IF=6.579)
Yiliang Zhang, Yuan Yao, Li He, Yang Liu, Lei Shi; Rhodium(II)/Chiral Phosphoric Acid-Cocatalyzed Enantioselective O–H Bond Insertion of a-Diazo Esters; Adv. Synth, Catal., 2017, 359, 2754-2761. (IF=5.646)
Yang Liu*, Yanxiang Wang, Xiaonan Zheng, Ya Wang; Synergistic effect of nitrogen and sulfur co-doped graphene as efficient metal-free counter electrode for dye-sensitized solar cells: A first principle study; Computational Materials Science 2017,136, 44–51. （IF=2.292）
Shaoyan Gan, Junjie Yin, Yuan Yao, Yang Liu, Denghu Chang, Dan Zhu and Lei Shi ；Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides Org. Biomol. Chem., 2017, 15, 2647. (IF=3.564)
Dilrukshi Hewage, Wenjin Cao, Jong Hyun Kim, Ya Wang, Yang Liu*, and Dong-Sheng Yang*, Spectroscopic Characterization of Nonconcerted [4+2] Cycloaddition of 1,3-Butadiene with Lanthanacyclopropene To Form Lanthanum？Benzene in the Gas Phase; J. Phys. Chem. A 2017, 121, 1233？1239 (IF=2.847)
Zhou Yu, Yu Bai*, Yanxiang Wang, Yuxuan Liu, Yanli Zhao, Yang Liu*, Kening Sun*; One-step synthesis of three-dimensional nitrogen and sulfur co-doped graphene networks as low cost metal-free counter electrodes for dye-sensitized solar cells; Chemical Engineering Journal 2017, 311,302–309 (IF=5.310,化工Q1)
Yang Liu*, Ya Wang, Isaac B. Bersuker; Geometry, Electronic Structure, and Pseudo Jahn-Teller Effect in Tetrasilacyclobutadiene Analogues; Scientific Reports，2016, 6:23315. （IF= 5.228）
Willian Hermoso, Yang Liu*, and Isaac B. Bersuker*, Novel Effect Induced by Pseudo-Jahn？Teller Interactions: Broken Cylindrical Symmetry in Linear Molecules; Journal of Chemical Theory and Computation, 2014,10, 4377. (IF= 5.498,化学Q1)
Yang Liu *; Singlet–triplet separation induced by the Pseudo Jahn–Teller effect examples: The CX2 and NX2+ (X = H, Cl) molecules; Computational and Theoretical Chemistry, 2014,1044, 94. (IF=1.549)
Yang Liu*, Wenli Zou, Isaac B. Bersuker; Revisiting symmetry breaking in BNB: The key role of electronic Correlation; Chemical Physics Letters, 2014, 603,18. (IF=2.145)
Zhi-Bo Zhao, Yang Liu, Yuan Yao*; Computational determination of binding structures and free energies of glucose 6-phosphate ehydrogenase with novel steroid inhibitors, Journal of Molecular Graphics and Modelling, 2014,51, 168-172. (IF=1.754)
Qiang Liu, Jiang Meng, Yang Liu, Chao Yang, and Wujiong Xia*； Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins, Journal of Organic Chemistry, 2014, 79, 8143-8155. (IF=4.849)
Yang Liu*, Isaac B. Bersuker, James E. Boggs; Pseudo Jahn-Teller origin of puckering in C4H42+, Si4H42+, and C4F42+ dications; Chemical Physics, 2013, 417, 26-29. (IF=1.767)
Sudesh Kumari, Mourad Roudjane, Dilrukshi Hewage, Yang Liu*, Dong-sheng Yang*; High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: The role of 4f electrons; Journal of Chemical Physics, 2013, 138, 164307. (IF=3.164,化学Q2)
Yang Liu, Isaac B. Bersuker*, Pablo Garcia-Fernandez, James E. Boggs;Pseudo Jahn-Teller origin of nonplanarity and rectangular-ring structure of tetrafluorocyclobutadiene; J. Phys. Chem. A., 2012, 116, 756. (IF=2.847)
Yutian Shao, Chao Yang, WeijunGui, Yang Liu, WujiongXia*; Photochemical studies on aromatic γ,δ-epoxy ketones: efficient synthesis of benzocyclobutanones and indanones; Chemical Communications, 2012, 48, 3560-3562. (IF=6.319, 化学Q2)
Yang Liu, Sudesh Kumari, Mourad Roudjane, Shenggang Li, Dong-Sheng Yang*; Electronic states and pseudo Jahn-Teller distortion of heavy metal-monobenzene complexes: M(C6H6) (M=Y, La, and Lu); Journal of Chemical Physics, 2012, 136, 134310. (IF=3.164,化学Q2)
Lu Wu; Yang Liu; Changhua Zhang; Shenggang Li; David A. Dixon; Dong-Sheng Yang*, Mass-analyzed threshold ionization of an excited state of lanthanum dioxide, Journal of Chemical Physics, 2012, 137, 034307. (IF=3.164,化学Q2)
Yang Liu, Lu Wu, Chang-Hua Zhang, Serge Krasnokutski, and Dong-Sheng Yang*; Electronic states and spin-orbit splitting of lanthanum dimer, Journal of Chemical Physics. 2011, 135, 034309. (IF=3.164,化学Q2)
Pablo Garcia-Fernandez, Yang Liu, Isaac B. Bersuker*, and James E. Boggs; Pseudo Jahn–Teller origin of cis–trans and other conformational changes. The role of double bonds, Physical Chemistry Chemical Physics. 2011, 13, 3502. (IF=4.123)
Yang Liu, Isaac B. Bersuker*, Wenli Zou, and James E. Boggs; Pseudo Jahn–Teller versus Renner–Teller effects in the instability of linear molecules, Chemical Physics. 2010, 376, 30-35. (IF=1.767)
Wenli Zou, Yang Liu, James E. Boggs*; Relativistic ab initio study on PtF and HePtF, Dalton Transactions, 2010, 39, 2023–2026. (IF=4.029)
Wenli Zou, Yang Liu, Wenjian Liu, Ting Wang, and James E. Boggs*; He@Mo6Cl8F6: A Stable Complex of Helium, Journal of Physical Chemistry A. 2010, 114, 646–651. (IF=2.847)
Wenli Zou, Dong Xu, Peter Zajac, Andrew L. Cooksy, Isaac B. Bersuker, Yang Liu and James E. Boggs; Symmetry breaking in linear ZnCl2+: A theoretical study, Journal of Molecular Structure. 2010, 978, 263-268. (IF=1.753)
Yang Liu, Isaac B. Bersuker, Wenli Zou, James E. Boggs*; Combined Jahn-Teller and Pseudo-Jahn-Teller Effect in the CO3 Molecule: A Seven-State Six-Mode Problem, Journal of Chemical Theory and Computation. 2009, 5, 2679-2686. (IF= 5.498， 化学Q1)
Yang Liu, Wenli Zou, Isaac B. Bersuker, James E. Boggs*; Symmetry breaking in the ground state of BNB: A high level multireference study，Journal of Chemical Physics. 2009, 130, 184305. (IF=3.164,化学Q2)
Wenli Zou, Yang Liu, James E. Boggs*; Theoretical study of RgMF (Rg = He, Ne; M = Cu, Ag, Au): Bonded structures of helium, Chemical Physics Letters. 2009, 482, 207–210. (IF=1.815)
Yang Liu, Xu-Ri Huang*, Chia-Chung Sun; A CASPT2//CASSCF study of the quartet excited state a4A’’of the HCNN radical, Theoretical Chemistry Accounts. 2007, 118, 915–922. (IF=1.890)
Yang Liu, Guang-Tao Yu, Xu-Ri Huang*, and Chia-Chung Sun; Structure and stability of isomers of the promising interstellar molecule PC3O, Theoretical Chemistry Accounts. 2006, 115, 410–426. (IF=1.890)
Yang Liu, Jian-Kang Yu, Xu-Ri Huang*, and Chia-Chung Sun; Theoretical study of photodissociation dynamics on the lowest-lying Rydberg state of ketene, Journal of Chemical Physics. 2006, 125, 044311. (IF=3.164,化学Q2)
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