Researcher's Profile

Jun Cheng(程俊)

College of Chemistry & Chemical Engineering

千人计划-青年人才

Research Area:

The theory of photoelectric catalysis;heterogeneous catalysis

  • Oxidative Dehydrogenation of Propane to Propylene in the Presence of HCI Catalyzed by CeO2 and NiO-Modified CeO2 Nanocrystals

    ACS CATALYSIS,2155-5435 ,2018-06.
    Xie, QH; Zhang, HM; Kang, JC; Cheng, J; Zhang, QH; Wang, Y
    WOS:000434369600017   10.1021/acscatal.8600650
    Included in : SCIE
  • Uranyl Arsenate Complexes in Aqueous Solution: Insights from First Principles Molecular Dynamics Simulations

    INORGANIC CHEMISTRY,0020-1669 ,2018-05-21.
    He, MJ; Liu, XD; Cheng, J; Lu, XC; Zhang, C; Wang, RC
    WOS:000433013600012   10.1021/acs.inorgchem.8b00136
    Included in : SCIE
  • Theoretical insight into the vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076 ,2018-05-07.
    Le, JB; Fan, QY; Perez-Martinez, L; Cuesta, A; Cheng, J
    WOS:000431824000006   10.1039/c8cp00615f
    Included in : SCIE
  • Visible light-driven C-H activation and C-C coupling of methanol into ethylene glycol

    NATURE COMMUNICATIONS,2041-1723 ,2018-03-21.
    Xie, Shunji; Shen, Zebin; Deng, Jiao; Guo, Pu; Zhang, Qinghong; Zhang, Haikun; Ma, Chao; Jiang, Zheng; Cheng, Jun; Deng, Dehui; Wang, Ye
    WOS:000427929200012   10.1038/s41467-018-03543-y
    Included in : SCIE
  • Molecular Iridium Complexes in Metal-Organic Frameworks Catalyze CO2Hydrogenation via Concerted Proton and Hydride Transfer

    Journal of the American Chemical Society,0002-7863 ,2017-12-13.
    An, Bing(1); Zeng, Lingzhen(1); Jia, Mei(1); Li, Zhe(1); Lin, Zekai(2); Song, Yang(2); Zhou, Yang(1); Cheng, Jun(1); Wang, Cheng(1); Lin, Wenbin(1,2)
    WOS:000418204600012   EI:20175004536585   10.1021/jacs.7b10922
    Included in : SCIE、EI
  • Modelling metal electrolyte interfaces from density functional theory based molecular dynamics

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY,0065-7727 ,2017-08-20.
    Le, Jiabo; Iannuzzi, Marcella; Cuesta, Angel; Cheng, Jun
    WOS:000429556702368  
    Included in : SCIE、CPCI-S
  • Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics

    PHYSICAL REVIEW LETTERS,0031-9007 ,2017-07-05.
    Le, Jiabo; Iannuzzi, Marcella; Cuesta, Angel; Cheng, Jun
    WOS:000404764500010   EI:20172803936084   10.1103/PhysRevLett.119.016801
    Included in : SCIE、EI
  • Water effect on band alignment of GaP: A theoretical insight into pyridinium catalyzed CO2reduction

    Journal of Energy Chemistry,2095-4956 ,2017-01-09.
    Fan, Xue-Ting(1); Jia, Mei(1); Lee, Ming-Hsien(2); Cheng, Jun(1,3)
    WOS:000412776100019   EI:20171203476855   10.1016/j.jechem.2017.03.002
    Included in : SCIE、EI
  • Photocatalytic coupling of formaldehyde to ethylene glycol and glycolaldehyde over bismuth vanadate with controllable facets and cocatalysts

    CATALYSIS SCIENCE & TECHNOLOGY,2044-4753 ,2017 .
    Xie, Shunji; Shen, Zebin; Zhang, Huamin; Cheng, Jun; Zhang, Qinghong; Wang, Ye
    WOS:000395881300015   EI:20173204032641   10.1039/c6cy02510b
    Included in : SCIE、EI
  • The structure of metal-water interface at the potential of zero charge from density functional theory-based molecular dynamics

    Journal of Electroanalytical Chemistry,1572-6657 ,2017.
    Le, Jiabo(1); Cuesta, Angel(1); Cheng, Jun(1,2)
    WOS:000435619700012   EI:20173704164465   10.1016/j.jelechem.2017.09.002
    Included in : SCIE、EI
  • Acidity constants and redox potentials of uranyl ions in hydrothermal solutions

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076 ,2016-10-07.
    Liu, Xiandong; Cheng, Jun; He, Mengjia; Lu, Xiancai; Wang, Rucheng
    WOS:000385172600028   10.1039/c6cp03469a
    Included in : SCIE
  • Redox potentials of aryl derivatives from hybrid functional based first principles molecular dynamics

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076 ,2016-06-14.
    Liu, Xiandong; Cheng, Jun; Lu, Xiancai; He, Mengjia; Wang, Rucheng
    WOS:000378273500019   10.1039/c6cp01375a
    Included in : SCIE
  • Density Functional Theory Calculation of the Band Alignment of (101ì0) InxGa1-xN/Water Interfaces

    Journal of Physical Chemistry B,1520-6106 ,2016-03-03.
    Meng, Andrew C.(1,2); Cheng, Jun(3,4); Sprik, Michiel(1)
    WOS:000371562700058   EI:20161102081216   10.1021/acs.jpcb.5b09807
    Included in : SCIE、EI
  • Calculation of Electrochemical Energy Levels in Water Using the Random Phase Approximation and a Double Hybrid Functional

    PHYSICAL REVIEW LETTERS,0031-9007 ,2016-02-25.
    Cheng, Jun; VandeVondele, Joost
    WOS:000370817400015   EI:20161002057606   10.1103/PhysRevLett.116.086402
    Included in : SCIE、EI
  • 《理论计算电化学》专辑序言

    电化学,1006-3471 ,2017.
    程俊
    CSCD扩展
  • Chapter 13:All-Atom Computation of Vertical and Adiabatic Ionization Energy of the Aqueous Hydroxide Anion//.Concepts and Methods in Modern Theoretical Chemistry. (专著). CRC press, 2013年01月.