Personal Information
Professor
Academic Titles : 博士生导师，课题组主页 https://www.labxing.com/liujingyao
Paper Publications
- [1]DFT study on the mechanism of palladium(0)-catalyzed reaction of o-iodoanilines, CO2, and CO.Molecular Catalysis.2021,501:111344
- [2]Transition metal single atom anchored C3N for highly efficient formic acid dehydrogenation: A DFT study.Applied Surface Science,562:150186
- [3]Catalytic Activity of the Transition-Metal Atom Doped Platinum Surface for NO Reduction by CO.J. Phys. Chem. C.2021,125(18):9703-9714
- [4]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
- [5]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
- [6]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
- [7]Insights into the mechanism of formic acid dehydrogenation on Pd-Co@Pd core-shell catalysts: A theoretical study.Applied Surface Science.2020,505:144532
- [8]NO dissociation and reduction by H2 on Pd(1 1 1): A first-principles study.Journal of Catalysis.2015,322:73-83
- [9]Honeycomb Boron Allotropes with Dirac Cones: A True Analogue to Graphene.Journal of Physical Chemistry Letters.2018,8:2647-2653
- [10]Microporosity as a new property control factor in graphene-like 2D allotropes.Journal of Material Chemistry A.2018,6(22):10348-10354