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

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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)

  2. Article

    Open Access

    Implementation of Outstanding Electronic Transport in Polar Covalent Boron Nitride Atomic Chains: another Extraordinary Odd-Even Behaviour

    A theoretical investigation of the unique electronic transport properties of the junctions composed of boron nitride atomic chains bridging symmetric graphene electrodes with point-contacts is executed through...

    **aodong Xu, Weiqi Li, Linhua Liu, Jikang Feng, Yongyuan Jiang in Scientific Reports (2016)

  3. Article

    Open Access

    Exploring long-wave infrared transmitting materials with AxBy form: First-principles gene-like studies

    Long-wave infrared (8–12 μm) transmitting materials play critical roles in space science and electronic science. However, the paradox between their mechanical strength and infrared transmitting performance ser...

    Jia-Ren Du, Nian-Ke Chen, **an-Bin Li, Sheng-Yi **e, Wei Quan Tian in Scientific Reports (2016)