Tuning element distribution, structure and properties by composition in high-entropy alloys von Ding, Qingqing, Zhang, Yin, Chen, Xiao, Fu, Xiaoqian, Chen, Dengke, Chen, Sijing, Gu, Lin, Wei, Fei, Bei, Hongbin, Gao, Yanfei, Wen, Minru, Li, Jixue, Zhang, Ze, Zhu, Ting, Ritchie, Robert O., Yu, Qian

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Nonadiabatic molecular dynamics investigation on charge separation in rutile TiO2/h-BN interfaces von Li, Zixuan, Peng, Junhao, Huang, Hongfu, Dong, Huafeng, Huang, Le, Wen, Minru, Wu, Fugen

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Suppressed nonradiative electron–hole recombination in bismuth halide perovskite Cs3Bi2Cl9: Time domain ab initio analysis von Zhou, Junjie, Guan, Yinglin, Wen, Minru, Huang, Le, Dong, Huafeng, Wu, Fugen, Meng, Xiangyue

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Negative Poisson's ratio effect of P2/m phosphine von Zhou, Chunli, Bai, Lingling, Gao, Yifan, Liang, Xiao, Sun, Jiaying, Yang, Shaohua, Wen, Minru, Wu, Fugen, Dong, Huafeng

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Effect of surface polarization and structural deformation on the formation and stabilization of polarons in two-dimensional Ruddlesden–Popper metal halide perovskites von Liu, Yongsi, Liao, Haijun, Huang, Le, Xiao, Ye, Wen, Minru, Dong, Huafeng, Wu, Fugen, Feng, Xing

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Anti-twinning in nanoscale tungsten von Wang, Jiangwei, Zeng, Zhi, Wen, Minru, Wang, Qiannan, Chen, Dengke, Zhang, Yin, Wang, Peng, Wang, Hongtao, Zhang, Ze, Mao, Scott X., Zhu, Ting

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Boron at tera-Pascal pressures von Hu, Peiju, Peng, Junhao, Xie, Xing, Wen, Minru, Zhang, Xin, Wu, Fugen, Dong, Huafeng

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A Cost-Effective Long-Wave Infrared Detector Material Based on Graphene@PtSe2/HfSe2 Bidirectional Heterostructure: A First-Principles Study von Zhang, Jianzhi, Huang, Hongfu, Peng, Junhao, Li, Chuyu, Dong, Huafeng, Kong, Sifan, Xie, Yiyuan, Wu, Runqian, Wen, Minru, Wu, Fugen

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Adjustable electronic properties of PtSe2/HfS2 heterostructures via strain engineering von Meng, Lingyu, Peng, Junhao, Dong, Huafeng, Wen, Minru, Wu, Fugen

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Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO3 von Zhang, Runqing, Dong, Huafeng, Wen, Minru, Wu, Fugen

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Pressure-Induced Phase Diagram and Electronic Structure Evolves during the Insulator–Metal Transition of Bulk BiFeO 3 von Zhang, Runqing, Dong, Huafeng, Wen, Minru, Wu, Fugen

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Towards single broadband white emission in Rb0.5K1.5CaPO4(F, Cl): Eu2+ via selective site occupancy engineering for solid-state lighting applications von Liao, Min, Wu, Fugen, Zhu, Daoyun, Zhang, Xin, Dong, Huafeng, Lin, Zhiping, Wen, Minru, Mu, Zhongfei

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Efficient ultra-broadband NIR-II emission achieved by multi-site occupancy in Mg3Ga2GeO8: Ni2+ phosphor von Wang, Chengqian, Lin, Jian, Zhang, Xin, Dong, Huafeng, Wen, Minru, Zhao, Shuang, Yuan, Shuwen, Zhu, Daoyun, Wu, Fugen, Mu, Zhongfei

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Adsorption mechanism of typical VOCs on pristine and Al-modified MnO2 monolayer von Cao, Jiachun, Wu, Fugen, Wen, Minru, Peng, Junhao, Yang, Yan, Dong, Huafeng

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Brittle Fracture of 2D MoSe2 von Yang, Yingchao, Li, Xing, Wen, Minru, Hacopian, Emily, Chen, Weibing, Gong, Yongji, Zhang, Jing, Li, Bo, Zhou, Wu, Ajayan, Pulickel M., Chen, Qing, Zhu, Ting, Lou, Jun

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High piezoelectricity Janus GaXI (X = S, Se, or Te): First-principles calculations von Li, Zujun, Luo, Jiasheng, Ling, Haojun, Chen, Jiawei, Wen, Minru, Dong, Huafeng, Wu, Fugen

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Pressure-Induced High-Energy-Density BeN4 Materials with Nitrogen Chains: First-Principles Study von Zhang, Xunjiang, Xie, Xing, Dong, Huafeng, Zhang, Xin, Wu, Fugen, Mu, Zhongfei, Wen, Minru

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Pt/Au surface adsorption on the ZnO surface: A first-principles study von Bai, Lingling, Lin, Zhiping, Wen, Minru, Dong, Huafeng, Wu, Fugen

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Partitioning and diffusion of transition metal solutes in ternary model Ni-based single crystal superalloys von Liu, Shaohua, Wen, Minru, Li, Zi, Liu, Wenqing, Yan, Ping, Wang, Chongyu

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Pressure-Induced High-Energy-Density BeN6 Materials: First-Principles study von Zhang, Xunjiang, Dong, Huafeng, Huang, Le, Long, Hui, Zhang, Xin, Wu, Fugen, Mu, Zhongfei, Wen, Minru

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