Enhanced photocatalytic activity for water splitting of blue-phase GeS and GeSe monolayers via biaxial straining von Gu, Di, Tao, Xiaoma, Chen, Hongmei, Zhu, Weiling, Ouyang, Yifang, Peng, Qing

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Distinct green electroluminescence from lead-free CsCuBr2 halide micro-crosses von Li, Tao, Mo, Xiaoming, Peng, Chengyu, Lu, Qiuchun, Qi, Chengjun, Xiaoma Tao, Ouyang, Yifang, Zhou, Yulu

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Tuning the structural stability and electrochemical properties in graphene anode materials by B doping: a first-principles study von Guo, Xialei, Hou, Yuhua, Chen, Xuan, Zhang, Ruyan, Li, Wei, Tao, Xiaoma, Huang, Youlin

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Exploring the structural stability and electrochemical performance of B doped T-graphene nanotubes from first-principles calculations von Zhang, Ruyan, Hou, Yuhua, Guo, Xialei, Li, Xinyu, Li, Wei, Tao, Xiaoma, Huang, Youlin

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Machine learning reveals the importance of the formation enthalpy and atom-size difference in forming phases of high entropy alloys von Zhang, Lei, Chen, Hongmei, Tao, Xiaoma, Cai, Hongguo, Liu, Jingneng, Ouyang, Yifang, Peng, Qing, Du, Yong

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Elucidating the effects of B/Al doping on the structure stability and electrochemical properties of silicene using DFT von Zhang, Ruyan, Hou, Yuhua, Guo, Xialei, Chen, Xuan, Li, Wei, Tao, Xiaoma, Huang, Youlin

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High-CRI White Light-Emitting Diodes with Long T50 Lifetime from Perovskite-Inspired CsCu2I3 Halide von Liu, Jingcong, Li, Xuesong, Peng, Maolan, Tao, Xiaoma, Ouyang, Yifang, Zhou, Yulu, Mo, Xiaoming

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Effective control of oxygen defects by co-doping of ferroelectric HfO2 von Tian, Yushui, Zhou, Yulu, Zhao, Miao, Ouyang, Yifang, Tao, Xiaoma

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Improvement of ferroelectric phase fraction in HfO2 via La-containing co-doping method von Tian, Yushui, Zhou, Yulu, Zhao, Miao, Ouyang, Yifang, Tao, Xiaoma

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Two-dimensional polarized MoTe2/GeS heterojunction with an intrinsic electric field for photocatalytic water-splitting von Gu, Di, Xiaoma Tao, Chen, Hongmei, Ouyang, Yifang, Zhu, Weiling, Du, Yong

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Phase fraction of ferroelectric Hf0.5Zr0.5O2 film regulated by the co-action of Ce doping and oxygen defects: First principles study von Tian, Yushui, Zhou, Yulu, Zhao, Miao, Ouyang, Yifang, Tao, Xiaoma

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Two-dimensional ferromagnetic semiconductor Cr2XP: first-principles calculations and Monte Carlo simulations von Wei, Xiao-Ping, Du, Lan-Lan, Meng, Jiang-Liu, Tao, Xiaoma

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Enhanced self-powered UV photodetection from X chromosome-shaped Cs3Cu2I5 microcrystals von Li, Xuesong, Zhou, Yulu, Huang, Fengchang, Xiaoma Tao, Ouyang, Yifang, Mo, Xiaoming, Zhao, Jialong

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Benefits of Ga, Ge and As substitution in Li2FeSiO4: a first-principles exploration of the structural, electrochemical and capacity properties von Yan, Xiaotong, Hou, Yuhua, Zheng, Shouhong, Huang, Youlin, Li, Wei, Shi, Zhiqiang, Xiaoma Tao

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Two-Dimensional Polarized Blue P/SiS Heterostructures as Promising Photocatalysts for Water Splitting von Liu, Yin, Gu, Di, Tao, Xiaoma, Ouyang, Yifang, Duan, Chunyan, Liang, Guangxing

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Understanding the different effects of 4d-transition metals on the performance of Li-rich cathode Li2MnO3 by first-principles von Zhang, Shiwei, Wang, Jianchuan, Xiaoma Tao, Yan, Xiangyu, Du, Yong, Seifert, Hans J, Ting Lei

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Superlubricity of molybdenum disulfide subjected to large compressive strains von Wu, Shengcong, Meng, Zhisen, Tao, Xiaoma, Wang, Zhao

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Polarization Electric Field in 2D Polar Monolayer Silicon Monochalcogenides SiX (X = S, Se) as Potential Photocatalysts for Water Splitting von Gu, Di, Chen, Xingyuan, Xu, Xiangfu, Qin, Wen, Tao, Xiaoma, Ouyang, Yifang, Zhu, Weiling

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Highly Efficient Polarized GeS/MoSe2 van der Waals Heterostructure for Water Splitting from Ultraviolet to Near‐Infrared Light von Gu, Di, Tao, Xiaoma, Chen, Hongmei, Zhu, Weiling, Ouyang, Yifang, Du, Yong, Peng, Qing

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Evaluation of a sealed layer on a porous thermal barrier coating against molten calcium–magnesium–alumina–silicate corrosion von Cui, Shiyu, Huang, Jun, Luo, Junming, Liang, Wenping, Saucedo-Mora, Luis, Tao, Xiaoma

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