个人简历

主要学习及工作经历\r
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· 1987-1991 吉林大学物理系，理学学士学位\r
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· 1991-1997 吉林大学理论化学研究所，理学博士学位\r
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· 2000-2004 吉林大学理论化学研究所，副教授\r
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· 2004-至今 吉林大学理论化学研究所，教授\r
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· 2005-至今 吉林大学理论化学研究所，博士生导师\r
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· 2004.11-2006.10 美国密歇根大学从事博士后研究\r
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· 2007.3-2008.3 中科院长春应化所做高级访问学者\r
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· 2012.3-2013.5 美国加州州立大学Fullerton分校做高级访问学者

研究领域

""主要致力于化学反应微观机理、催化材料设计、低维材料性质调控等领域的理论与计算研究工作，包括\r
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·基于表面模型的非均相催化反应机理探究\r
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·过渡金属基均相催化剂在有机反应中的作用机制\r
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·新型二维材料及催化剂的理论设计""""

近期论文

1.Wei Liu, Maosheng Miao*, Jingyao Liu*, Macrocycles inserted in graphene: from coordination chemistry on graphene to graphitic carbon oxide, Nanoscale, 8(41), 17976-17983 (2016) 2.Li-yuan Huai, Tan Su, Hong Wen, Xin Jin, and Jing-yao Liu*, NO Reduction by H2 on the Rh(111) and Rh(221) Surfaces: A Mechanistic and Kinetic Study, ? J. Phys. Chem. C, 120, 5410-5419 (2016) 3.Hua Bai, Wencai Yi, Junfang Li, Guangcheng Xi,* Yahui Li, Haifeng Yang and Jingyao Liu*, Direct growth of defect-rich MoO3-x ultrathin nanobelts for efficiently catalyzed conversion of isopropyl alcohol to propylene under visible light, J. Mater. Chem. A, 4,1566-1571 (2016) 4.Li-yuan Huai, Hui Wang, Chao-zheng He, Hong Wen, Wen-cai Yi, Jing-yao Liu* “Effect of Subsurface Oxygen on Selective Catalytic Reduction of NO by H2 on Pt(100): A First-Principles Study”, J. Phys. Chem. C, 119(44), 24819-24826 (2015) 5.Li-yuan Huai, Chao-zheng He, Hui Wang, Hong Wen, Wen-cai Yi, Jing-yao Liu* “NO dissociation and reduction by H2?on Pd(1?1?1): A first-principles study”, Journal of Catalysis ,322, 73–83(2015). 6.Jingjing Liu, Sheng Fang, Zhixiu Wang, Wencai Yi, Fu-Ming Tao*, and Jing-yao Liu*，“ Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study”, Environ. Sci. Technol, 49, 13112?13120(2015). 7.Jingjing Liu, Sheng Fang, Wei Liu, Meiyan Wang, Fu-Ming Tao* , and Jing-yao Liu*,“Mechanism of the Gaseous Hydrolysis Reaction of SO2:Effects of NH3 versus H2O”, J. Phys. Chem. A, 119 ,1, 102–111 (2015). 8.Wei Liu, Maosheng Miao, Jing-yao Liu*,“A novel two-dimensional material B2S3 and its structural implication to new carbon and boron nitride allotropes”， J. Mater. Chem. C, 3,38, 9921-9927(2015). 9.Yu Chen, Mei-yan Wang*, Sheng Fang, Ting Wang, and Jing-yao Liu*, “DFT Studies on the Reaction Mechanism of 1,3-Conjugated Dienes Isomerization Catalyzed by Ruthenium Hydride”, Organometallics , 34, 4864?4870 (2015). 10.Ting Wang, Meiyan Wang*, Sheng Fang, and Jing-yao Liu*，“DFT Studies on Cu-Catalyzed Cross-Coupling of Diazo Compounds with Trimethylsilylethyne and tert-Butylethyne: Formation of Alkynes for Trimethylsilylethyne while Allenes for tert-Butylethyne”，Organometallics, 33 , 15, 3941–3949 (2014). 11.Hui Wang, Chao-zheng He, Li-yuan Huai, Jing-yao Liu*, “Decomposition and Oxidation of Methanol on Ir(111): A First-Principles Study”, J. Phys. Chem. C, 117, 9, 4574-4584 (2013). 12.Hui Zhang, Ping Liu, Jing-yao Liu,Ze-sheng Li, “Theoretical study and rate constant calculations for the reactions of SiHX3 with CF3 and CH3 radicals (X = F, Cl)”, J. Mol. Model, 19, 4, 1515-1525 (2013). 13.Xiao-liang Pan, Wei Liu, Jing-yao Liu*, “Mechanism of the Glycosylation Step Catalyzed by Human alpha-Galactosidase: A QM/MM Meta dynamics Study”, J. Phys. Chem. B, 117, 2, 484-489 (2013). 14.Chao-zheng He, Hui Wang, Li-yuan Huai, Jing-yao Liu*, “Mechanism of ammonia decomposition and oxidation on Ir(110): A first-principles study”, J. Chem. Phys, 138, 14, 144703 (2013). 15.Hui Wang, Chao-zheng He, Li-yuan Huai, Fu-ming Tao, Jing-yao Liu*, “Decomposition of Methanol on Clean and Oxygen-Predosed V(100): A First-Principles Study”, J. Phys. Chem. C, 116, 48, 25344–25353 (2012). 16.Chao-zheng He, Hui Wang, Li-yuan Huai, Jing-yao Liu*, “Mechanism of Ammonia Decomposition and Oxidation on Ir(100): A First-Principles Study”, J. Phys. Chem. C, 116, 45, 24035-24045 (2012). 17.Hui Wang, Chao-zheng He, Li-yuan Huai, Jing-yao Liu*, “Formaldehyde Decomposition and Coupling on V(100): A First-Principles Study”, J. Phys. Chem. C, 116, 19,10639-10648, (2012). 18.Xiao-liang Pan, Feng-chao Cui, Wei Liu, Jing-yao Liu*, “QM/MM Study on the Catalytic Mechanism of Heme-Containing Aliphatic Aldoxime Dehydratase”, J. Phys. Chem. B, 116, 19, 5689–5693, (2012). 19.Chao-zheng He, Hui Wang, Peng Zhu, Jing-yao Liu*, “Adsorption and dissociation of NO on Ir(100): A first-principles study”, J Chem Phys, 135, 204707 (2011). 20.Feng-chao Cui, Xiao-liang Pan, Wei Liu, Jing-yao Liu*, “Elucidation of the Methyl Transfer Mechanism Catalyzed by Chalcone O-Methyltransferase: A Density Functional Study”, J Comput Chem, 32, 14,?3068-3074 (2011).