Theoretical study of the effect of ionization effect on the thermal conductivity of stannous oxide von Wu, Yangke, Shi, Wei, He, Chaoyu, Li, Jin, Tang, Chao, Ouyang, Tao

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Effect of four-phonon scattering on thermal transport of γ-graphyne revealed by atomic cluster expansion von Cui, Chunfeng, Zhang, Yuwen, Ouyang, Tao, Tang, Chao, He, Chaoyu, Li, Jin, Zhong, Jianxin

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Vertical ferroelectricity in van der Waals materials: Models and devices von Zhang, Yuwen, Cui, Chunfeng, He, Chaoyu, Ouyang, Tao, Li, Jin, Chen, Mingxing, Tang, Chao

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Two-Dimensional Carbon Allotropes and Nanoribbons based on 2,6-Polyazulene Chains: Stacking Stabilities and Electronic Properties von Li, Jin, Li, Shifang, Ouyang, Tao, Zhang, Chunxiao, Tang, Chao, He, Chaoyu, Zhong, Jianxin

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Lattice thermal conductivity of borophene from first principle calculation von Xiao, Huaping, Cao, Wei, Ouyang, Tao, Guo, Sumei, He, Chaoyu, Zhong, Jianxin

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Low lattice thermal conductivity of two-dimensional monolayers of BxN (x = 2, 3, and 5) induced by complex bonding networks: A comparative study with h-BN von Tang, Zhunyun, Wang, Xiaoxia, Li, Jin, He, Chaoyu, Chen, Mingxing, Li, Xinghua, Tang, Chao, Ouyang, Tao

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Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations von He, Junjie, Ma, Shuang Ying, Zhou, Pan, Zhang, C. X, He, Chaoyu, Sun, L. Z

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Machine learning interatomic potentials as efficient tools for obtaining reasonable phonon dispersions and accurate thermal conductivity: A case study of typical two-dimensional ma... von Cui, Chunfeng, Zhang, Yuwen, Ouyang, Tao, Tang, Chao, He, Chaoyu, Li, Jin, Chen, Mingxing, Zhong, Jianxing

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Thermal switch based on ferroelasticity VA-N binary compounds von Zhang, Yuwen, Cui, Chunfeng, Ouyang, Tao, He, Chaoyu, Li, Jin, Chen, Mingxing, Tang, Chao

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Highly efficient water splitting in step-scheme PtS2/GaSe van der Waals heterojunction von Zhu, Zhiheng, Zhang, Chunxiao, Zhou, Mengshi, He, Chaoyu, Li, Jin, Ouyang, Tao, Tang, Chao, Zhong, Jianxin

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Optoelectronic properties of type-II SePtTe/InS van der Waals heterojunction von Ren, Jialuo, Zhang, Chunxiao, He, Chaoyu, Ouyang, Tao, Li, Jin, Tang, Chao, Zhong, Jianxin

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The thermoelectric properties of monolayer SiP and GeP from first-principles calculations von Jiang, Enlai, Zhu, Xueliang, Ouyang, Tao, Tang, Chao, Li, Jin, He, Chaoyu, Zhang, Chunxiao, Zhong, Jianxin

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Formation of ripples in atomically thin MoS2 and local strain engineering of electrostatic properties von Luo, Siwei, Hao, Guolin, Fan, Yinping, Kou, Liangzhi, He, Chaoyu, Qi, Xiang, Tang, Chao, Li, Jin, Huang, Kai, Zhong, Jianxin

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First-principles prediction of two hexagonal silicon crystals as potential absorbing layer materials for solar-cell application von Yang, Xiong, He, Chaoyu, Shi, Xizhi, Li, Jin, Zhang, Chunxiao, Tang, Chao, Zhong, Jianxin

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Excellent thermoelectric performance of open framework Si24 nanowires from density functional based tight-binding calculation von Huang, Weiqiang, Ouyang, Tao, Tang, Chao, He, Chaoyu, Li, Jin, Zhang, Chunxiao, Zhong, Jianxin

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M585, a low energy superhard monoclinic carbon phase von He, Chaoyu, Zhong, Jianxin

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Tuning magnetic and optical properties in As–Ge (Si) co-doped MoS2 monolayer by defect-defect interaction von Zhang, Sifan, Li, Jin, Fu, Zhentao, Deng, Jiao, Hao, Guolin, He, Chaoyu, Ouyang, Tao, Tang, Chao, Zhong, Jianxin

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New superhard carbon phases between graphite and diamond von He, Chaoyu, Sun, Lizhong, Zhang, Chunxiao, Peng, Xiangyang, Zhang, Kaiwang, Zhong, Jianxin

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Z-BN: a novel superhard boron nitride phase von He, Chaoyu, Sun, Lizhong, Zhang, Chunxiao, Peng, Xiangyang, Zhang, Kaiwang, Zhong, Jianxin

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Robust transport of charge carriers in in-plane 1T′-2H MoTe2 homojunctions with ohmic contact von Lu, Donglin, Li, Zhenqing, Xu, Congsheng, Luo, Siwei, He, Chaoyu, Li, Jun, Guo, Gang, Hao, Guolin, Qi, Xiang, Zhong, Jianxin

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