Thermoelectric properties of Janus MXY (M = Pd, Pt; X, Y = S, Se, Te) transition-metal dichalcogenide monolayers from first principles von Tao, Wang-Li, Lan, Jun-Qing, Hu, Cui-E, Cheng, Yan, Zhu, Jun, Geng, Hua-Yun

Volltext

Penta-PdX2 (X = S, Se, Te) monolayers: promising anisotropic thermoelectric materials von Yang-Shun, Lan, Xiang-Rong, Chen, Cui-E Hu, Cheng, Yan, Qi-Feng, Chen

Volltext

A first-principles study on the electronic, piezoelectric, and optical properties and strain-dependent carrier mobility of Janus TiXY (X ≠ Y, X/Y = Cl, Br, I) monolayers von Yang, Qiu, Zhang, Tian, Hu, Cui-E, Chen, Xiang-Rong, Geng, Hua-Yun

Volltext

Ferromagnetic vanadium disulfide VS2 monolayers with high Curie temperature and high spin polarization von Wu, Hao-Jia, Wan, Yu-Lu, Zeng, Zhao-Yi, Hu, Cui-E, Chen, Xiang-Rong, Geng, Hua-Yun

Volltext

Thermoelectric properties of strontium oxide under pressure: First-principles study von Hou, Xiao-Yao, Tan, Jing, Hu, Cui-E., Chen, Xiang-Rong, Geng, Hua-Yun

Volltext

Thermal transport properties of semimetal scandium antimonide: a first-principles study von Xu, Fei-Yang, Tao, Wang-Li, Hu, Cui-E, Cheng, Yan, Geng, Hua-Yun

Volltext

Modifying a D-A-π-A-D HTM system for higher hole mobility by the meta -substitution strategy to weaken the electron-donating ability of the donor unit: a DFT study von Wang, Ke-Li, Wang, Qun-Gui, Hu, Cui-E, Cheng, Yan, Ji, Guang-Fu, Chen, Xiang-Rong

Volltext

Structural and electronic transport properties of a SiC chain encapsulated inside a SiC nanotube: first-principles study von Mu, Yi, Cheng, Cai, Hu, Cui-E, Zhou, Xiao-Lin

Volltext

Strain-modulated mechanical, electronic, and thermal transport properties of two-dimensional PdS2 from first-principles investigations von Lan, Yang-Shun, Lu, Qing, Hu, Cui-E, Chen, Xiang-Rong, Chen, Qi-Feng

Volltext

Structural exploration and properties of (BN)6 cluster via ab initio in combination with particle swarm optimization method von Zhao, Ying-Qin, Cheng, Yan, Hu, Cui-E, Yu, Bai-Ru, Ji, Guang-Fu

Volltext

Ab initio investigation of structure, stability, thermal behavior, bonding, and infrared spectra of ionized water cluster (H2O) 6 von Liu, Lei, Hu, Cui-E, Tang, Mei, Chen, Xiang-Rong, Cai, Ling-Cang

Volltext

An Efficient Dopant for Introducing Magnetism into Topological Insulator Bi2Se3 von Wang, Dan, Hu, Cui-E, Liu, Li-Gang, Zhang, Min, Chen, Xiang-Rong

Volltext

Quantum anomalous/valley Hall effect and tunable quantum state in hydrogenated arsenene decorated with a transition metal von Zhang, Tian, Mu, Yi, Zhao, Jian-Zhou, Hu, Cui-E, Chen, Xiang-Rong, Zhou, Xiao-Lin

Volltext

Ab initio investigation of cationic water cluster (H2O)13+ via particle swarm optimization algorithm von Wen, Yi-Ming, Zhang, Shuai-Kang, Hu, Cui-E, Cheng, Yan

Volltext

Thermoelectric properties of MoC monolayers from first-principles calculations von Wang, Yan, Zhou, Yu, Liu, Xiao-Ping, Zeng, Zhao-Yi, Hu, Cui-E., Chen, Xiang-Rong

Volltext

Theoretical investigation of the high pressure structure, lattice dynamics, phase transition, and thermal equation of state of titanium metal von Hu, Cui-E, Zeng, Zhao-Yi, Zhang, Lin, Chen, Xiang-Rong, Cai, Ling-Cang, Alfè, Dario

Volltext

First-Principles Study of Structure, Elastic Properties, and Thermal Conductivity of Monolayer Calcium Hydrobromide von Li, Si-Hua, Hu, Cui-E, Wang, Xiao-Lu, Cheng, Yan

Volltext

High pressure phase transition of Ce–La alloy from first-principles calculations von Zeng, Zhao-Yi, Hu, Cui-E., Li, Zhi-Guo, Zhang, Wei, Cai, Ling-Cang

Volltext

Two-dimensional AlXY (X = S, Se, and Y = Cl, Br, I) monolayers: promising photocatalysts for water splitting with high-anisotropic carrier mobilities von Pan, Lu, Zhang, Tian, Hu, Cui-E, Chen, Xiang-Rong, Geng, Hua-Yun

Volltext

First-principles studies on the structural, electronic and thermal transport characteristics of half-Heusler compounds LiXN (X=Mg, Zn) von Luo, Xin, Zhang, Tian, Hu, Cui-E, Cheng, Yan, Geng, Hua-Yun

Volltext