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Liu Jingyao
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博士生导师,课题组主页 https://www.labxing.com/liujingyao
Scientific Research
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DFT study on the mechanism of palladium(0)-catalyzed reaction of o-iodoanilines, CO2, and CO.Molecular Catalysis.2021,501:111344
Transition metal single atom anchored C3N for highly efficient formic acid dehydrogenation: A DFT study.Applied Surface Science,562:150186
Catalytic Activity of the Transition-Metal Atom Doped Platinum Surface for NO Reduction by CO.J. Phys. Chem. C.2021,125(18):9703-9714
DFT study on the mechanism of bimetallic Pd–Zn-catalyzed cycloaddition of alkynyl aryl ethers with internal alkynes.Dalton Transactions.2020,49(9):2914-2923
DFT study on the mechanism of palladium(II)-catalyzed reaction of allyl-substituted 3,4-dienoate, alkyne and carbon monoxide.Molecular Catalysis.2020,492:111028
Insight into the Reaction Mechanism of the Reduction of NO by H2 on the Singly Dispersed Bimetallic Pt(Rh)Co4/Co3O4 Catalysts: A First-Principles Study.J. Phys. Chem. C.2021,124(18):9908-9916
Patents
Published Books
Research Projects
环境化学中典型反应微观机理的理论研究, 国家自然科学基金青年基金-2006/12/31
重要小分子体系的多参考态研究-2012/12/31
汽车尾气中NOx污染物催化消除机理的第一性原理研究, 国家自然科学基金面上项目-2017/12/31
甲酸分解制氢非均相催化材料设计和机理的理论研究-2021/12/31