Skip to main content

4 Result(s)

within Wei Quan Tian Remove this filter Inorganic Chemistry Remove this filter

and

  1. No Access

    Article

    Modulation of the Second Order Nonlinear Optical Properties of Helical Graphene Nanoribbons Through Introducing Azulene Defects or/and BN Units

    The current study has obtained excellent potential nonlinear optical(NLO) materials by combining density functional theory methods with sum-over-states model to predict the second order NLO properties of helic...

    Xuelian Zheng, Ling Liu, Cuicui Yang… in Chemical Research in Chinese Universities (2022)

  2. No Access

    Article

    Theoretical Studies on the Electronic Structure of Nano-graphenes for Applications in Nonlinear Optics

    In this work, azulene is introduced into nano-graphene with coronene center to enhance the second-order nonlinear optical (NLO) properties. The sum-over-states(SOS) model based calculations demonstrate that dip.....

    Kaichun Chen, Xuelian Zheng, Cuicui Yang… in Chemical Research in Chinese Universities (2022)

  3. No Access

    Article

    Structures, stabilities, aromaticity, and electronic properties of C66 fullerene isomers, anions (C66 2−, C66 4−, C66 6−), and metallofullerenes (Sc2@C66)

    Among all the 4478 classical isomers of C66, C66(C s :0060) with the lowest number of pentagon–pentagon fusions was predicted to be the most stable isome...

    Yan-Hong Cui, Wei Quan Tian, Ji-Kang Feng, De-Li Chen in Journal of Nanoparticle Research (2010)

  4. No Access

    Article

    Theoretical explorations on the armchair BN nanotube with defects

    A systematic study of armchair boron nitride nanotubes (BNNTs) with defects has been carried out within density functional theory. The effect brought by the defects is localized. The defect sites have major co...

    ** Mao Li, Wei Quan Tian, Xu Ri Huang, Chia Chung Sun… in Journal of Nanoparticle Research (2009)