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Structural transition and migration of incoherent twin boundary in diamond

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  1. Article

    Open Access

    Monolayer PdSe2: A promising two-dimensional thermoelectric material

    Motivated by the recent experimental synthesis of two-dimensional semiconducting film PdSe2, we investigate the electronic and thermal transport properties of PdSe2 monolayer by using the density functional theor...

    Dan Qin, Peng Yan, Guangqian Ding, Xu** Ge, Hongyue Song… in Scientific Reports (2018)

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  2. Article

    Open Access

    Multiple thermal spin transport performances of graphene nanoribbon heterojuction co-doped with Nitrogen and Boron

    Graphene nanoribbon is a popular material in spintronics owing to its unique electronic properties. Here, we propose a novel spin caloritronics device based on zigzag graphene nanoribbon (ZGNR), which is a het...

    Hai Huang, Guoying Gao, Huahua Fu, Anmin Zheng, Fei Zou… in Scientific Reports (2017)

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  3. Article

    Open Access

    Spin-dependent thermoelectric effects in Fe-C6 doped monolayer MoS2

    By using the non-equilibrium Green’s function with density functional theory, we have studied the thermal spin transport properties of Fe-C6 cluster doped monolayer MoS2. The results show that the device has a pe...

    Lin Zhu, Fei Zou, Guoying Gao, Kailun Yao in Scientific Reports (2017)

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  4. Article

    Open Access

    High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds

    Improving the thermoelectric efficiency is one of the greatest challenges in materials science. The recent discovery of excellent thermoelectric performance in simple orthorhombic SnSe crystal offers new promi...

    Guangqian Ding, Guoying Gao, Kailun Yao in Scientific Reports (2015)

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  5. Article

    Open Access

    Nearly Perfect Spin Filter, Spin Valve and Negative Differential Resistance Effects in a Fe4-based Single-molecule Junction

    The spin-polarized transport in a single-molecule magnet Fe4 sandwiched between two gold electrodes is studied, using nonequilibrium Green's functions in combination with the density-functional theory. We predict...

    Fengxia Zu, Zuli Liu, Kailun Yao, Guoying Gao, Huahua Fu, Sicong Zhu… in Scientific Reports (2014)

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  6. Article

    Open Access

    Spin Seebeck Effect and Thermal Colossal Magnetoresistance in Graphene Nanoribbon Heterojunction

    Spin caloritronics devices are very important for future development of low-power-consumption technology. We propose a new spin caloritronics device based on zigzag graphene nanoribbon (ZGNR), which is a heter...

    Yun Ni, Kailun Yao, Huahua Fu, Guoying Gao, Sicong Zhu, Shuling Wang in Scientific Reports (2013)

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