Prediction of Intrinsic Ferromagnetic Ferroelectricity in a Transition-Metal Halide Monolayer von Huang, Chengxi, Du, Yongping, Wu, Haiping, Xiang, Hongjun, Deng, Kaiming, Kan, Erjun

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Atomically Thin Transition-Metal Dinitrides: High-Temperature Ferromagnetism and Half-Metallicity von Wu, Fang, Huang, Chengxi, Wu, Haiping, Lee, Changhoon, Deng, Kaiming, Kan, Erjun, Jena, Puru

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Stabilization of the Metastable Lead Iodide Perovskite Phase via Surface Functionalization von Fu, Yongping, Wu, Tao, Wang, Jue, Zhai, Jianyuan, Shearer, Melinda J, Zhao, Yuzhou, Hamers, Robert J, Kan, Erjun, Deng, Kaiming, Zhu, X.-Y, Jin, Song

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Molecular simulations on CO2 adsorption and adsorptive separation in fullerene impregnated MOF-177, MOF-180 and MOF-200 von Xu, Genjian, Meng, Zhaoshun, Guo, Xiaojian, Zhu, Hongwei, Deng, Kaiming, Xiao, Chuanyun, Liu, Yuzhen

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High-temperature ferro-electricity in two-dimensional atomic crystal von Kan, Erjun, Wu, Fang, Deng, Kaiming, Tang, Weihua

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Half-Metallicity in Organic Single Porous Sheets von Kan, Erjun, Hu, Wei, Xiao, Chuanyun, Lu, Ruifeng, Deng, Kaiming, Yang, Jinlong, Su, Haibin

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Half-metallicity obtained in silicene nanosheet by nitrogenation engineering von Qian, Yan, Wu, Haiping, Kan, Erjun, Lu, Ruifeng, Deng, Kaiming

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Why the Band Gap of Graphene Is Tunable on Hexagonal Boron Nitride von Kan, Erjun, Ren, Hao, Wu, Fang, Li, Zhenyu, Lu, Ruifeng, Xiao, Chuanyun, Deng, Kaiming, Yang, Jinlong

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Carrier mobility in double-helix DNA and RNA: A quantum chemistry study with Marcus-Hush theory von Wu, Tao, Sun, Lei, Shi, Qi, Deng, Kaiming, Deng, Weiqiao, Lu, Ruifeng

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Band structure tuning and charge separation of MNX monolayers and MNX/GaS van der Waals heterostructures von Bai, Yujie, Deng, Kaiming, Kan, Erjun

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Efficient mesoscopic perovskite solar cells from emulsion-based bottom-up self-assembled TiO2 microspheres von Wang, Deng, Li, Wenjing, Deng, Kaiming, Wu, Jihuai, Lan, Zhang

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Boron-substituted graphyne as a versatile material with high storage capacities of Li and H2: a multiscale theoretical study von Lu, Ruifeng, Rao, Dewei, Meng, Zhaoshun, Zhang, Xuebiao, Xu, Genjian, Liu, Yuzhen, Kan, Erjun, Xiao, Chuanyun, Deng, Kaiming

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Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene von Lu, Ruifeng, Rao, Dewei, Lu, Zelin, Qian, Jinchao, Li, Feng, Wu, Haiping, Wang, Yaqi, Xiao, Chuanyun, Deng, Kaiming, Kan, Erjun, Deng, Weiqiao

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Lithium decoration of three dimensional boron-doped graphene frameworks for high-capacity hydrogen storage von Wang, Yunhui, Meng, Zhaoshun, Liu, Yuzhen, You, Dongsen, Wu, Kai, Lv, Jinchao, Wang, Xuezheng, Deng, Kaiming, Rao, Dewei, Lu, Ruifeng

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Influence of Polymer Additives on the Efficiency and Stability of Ambient‐Air Solution‐Processed Planar Perovskite Solar Cells von Wang, Deng, Zhang, Lei, Deng, Kaiming, Zhang, Weina, Song, Jing, Wu, Jihuai, Lan, Zhang

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Catenated metal-organic frameworks: Promising hydrogen purification materials and high hydrogen storage medium with further lithium doping von Meng, Zhaoshun, Lu, Ruifeng, Rao, Dewei, Kan, Erjun, Xiao, Chuanyun, Deng, Kaiming

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Electronic properties and hydrogen storage application of designed porous nanotubes from a polyphenylene network von Rao, Dewei, Lu, Ruifeng, Meng, Zhaoshun, Wang, Yunhui, Lu, Zelin, Liu, Yuzhen, Chen, Xuan, Kan, Erjun, Xiao, Chuanyun, Deng, Kaiming, Wu, Haiping

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The effect of biaxial mechanical strain on the physical properties of double perovskite Sr2FeMoO6: A theoretical study von Lu, Ruifeng, Wu, Haiping, Qian, Yan, Kan, Erjun, Liu, Yuzhen, Tan, Weishi, Xiao, Chuanyun, Deng, Kaiming

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Ferroelectric-like structural transition in metallic LiOsO3 von Yao, Qiushi, Wu, Haiping, Deng, Kaiming, Kan, Erjun

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First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors von Zhang, Xuebiao, Rao, Dewei, Lu, Ruifeng, Deng, Kaiming, Chen, Dongguo

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