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3 Result(s)

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  1. Article

    Open Access

    Excitation to defect-bound band edge states in two-dimensional semiconductors and its effect on carrier transport

    The ionization of dopants is a crucial process for electronics, yet it can be unexpectedly difficult in two-dimensional materials due to reduced screening and dimensionality. Using first-principles calculation...

    Dan Wang, Dong Han, Damien West, Nian-Ke Chen, Sheng-Yi **e… in npj Computational Materials (2019)

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  2. 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)

  3. 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)