Researcher's Profile

Jun Cheng(程俊)

College of Chemistry & Chemical Engineering



Research Area:

The theory of photoelectric catalysis;heterogeneous catalysis

  • 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
  • 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)
    EI:20173704164465   10.1016/j.jelechem.2017.09.002
    Included in : EI
  • Acidity constants and redox potentials of uranyl ions in hydrothermal solutions

    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

    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
  • 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.