Skip to main content

6 Result(s)

within Yongfan Zhang Remove this filter Chemistry Remove this filter

and

  1. No Access

    Article

    Bisimidazolium Tungstate Ionic Liquids: Highly Efficient Catalysts for the Synthesis of Linear Organic Carbonates by the Reaction of Ethylene Carbonate with Alcohols

    A series of bisimidazolium tungstate ionic liquids were synthesized and applied to catalyze the reaction of ethylene carbonate (EC) with alcohols. A detailed investigation was carried out on the relationship b...

    Shi Wu, Jie Huang, Yingting Wang, Huilin Tao, Zhongliang Yu… in Catalysis Letters (2023)

  2. No Access

    Article

    Density functional theory study on the electronic and optical properties of three crystalline phases of BiVO4

    The differences in the photocatalytic activity of bismuth vanadate in three crystalline phases have been investigated through calculating their electronic structures and optical properties based on density fun...

    Kaining Ding, Bin Chen, Zhenxing Fang, Yongfan Zhang in Theoretical Chemistry Accounts (2013)

  3. No Access

    Article

    Effects of Ti do** at the reduced SnO2(110) surface with different oxygen vacancies: a first principles study

    A series of Ti-doped SnO2(110) surfaces with different oxygen vacancies have been investigated by means of first principles DFT calculations combined with a slab model. Three kinds of defective SnO2(110) surfaces...

    Hua **, Wei Lin, Ying Zhang, Jia Zhu, Yi Li… in Theoretical Chemistry Accounts (2012)

  4. No Access

    Article

    Structural and electronic properties of tungsten trioxides: from cluster to solid surface

    Geometries and electronic structures of WO3(001) surface and a series of stoichiometric (WO3) n clusters (n = 1–6) have been systematically investigated using first-principles d...

    Hua **, Jia Zhu, Jianming Hu, Yi Li, Yongfan Zhang… in Theoretical Chemistry Accounts (2011)

  5. No Access

    Article

    The effects of the introduction of Al atom into monoclinic BiVO4: a theoretical prediction

    Using density functional theory calculation within the CASTEP code, we investigated the possible various kinds of defects in the Al: mBiVO4 crystals. On the one hand, the substitution of V site with Al(subAl-V) w...

    Shanshan Yao, Kaining Ding, Yongfan Zhang in Theoretical Chemistry Accounts (2010)

  6. No Access

    Article

    An ab Initio Study on the Chemical Bond and Reactivity of Molybdenum–Sulfur Clusters with a Mo2O n S4−n (n=1–3) Core

    Using the ab initio method and natural bond analysis, the reactivity and chemical bond of dinuclear molybdenum sulfur clusters with Mo2O n S4−n (n=1–3) core were studied. The re...

    Yongfan Zhang, Liming Wu, Junqian Li, Zunxin Huang… in Journal of Cluster Science (1999)