研究论文
Strain-engineered electronic and thermoelectric properties of ZrX2 (X=S, Se) monolayers: A first-principles study
Khatir Ouail, S. Ferahtia, Salima Saib, N. Bouarissa
University Mohamed Boudiaf of M'sila
来源Physica E Low-dimensional Systems and Nanostructures
年份2025
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材料 / 化学2D Materials and Applications
Advanced Thermoelectric Materials and Devices · Thermal properties of materials
参考文献 92
Phonons and related crystal properties from density-functional perturbation theory
被引 10,040Stefano Baroni, Stefano Baroni, Andrea Dal Corso · Reviews of Modern Physics · 2001
Phonon-limited mobility in n -type single-layer MoS 2 from first principles
被引 1,294Kristen Kaasbjerg, Kristian Sommer Thygesen, Karsten W. Jacobsen · Physical Review B · 2012
van der Waals Bonding in Layered Compounds from Advanced Density-Functional First-Principles Calculations
被引 1,154Torbjörn Björkman, Andris Guļāns, Arkady V. Krasheninnikov · Physical Review Letters · 2012
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引用本文 6
Tailoring the Gas Sensing Performance of ZrS2 Monolayers via Noble Metal Doping for Thermal Runaway Gas Detection in LIBs: A First-Principles Study
被引 0Yu Hou, Hao Cui · Inorganics · 2026
First-principles study of monolayer ZrS₂ as a high-capacity anode for Li-, Na-, and K-Ion batteries
被引 0Xingkao Zhang, Jinlong Chen, Xiangjie Fu · Journal of Solid State Electrochemistry · 2026
Strain-enhanced thermoelectric performance in vacancy-ordered Rb2SeCl6 enabled by lattice softening and suppressed phonon transport
被引 0Yutong Chen, Wenjun Sun, Jianhui Han · Computational Materials Science · 2026
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