Phase transitions, lattice dynamics, thermal transport, and thermodynamic properties of Mg2V2O7 from experiments and first-principle calculations

Guishang Pei,Xin Jin,Mengjiao Jiao,Zhuoyang Li,Dapeng Zhong,Junyi Xiang, Ruixiang Zhu,Rui Wang,Yuntao Xin,Xuewei Lv

Journal of Magnesium and Alloys（2024）

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摘要

•Crystal structure, phase transitions, and thermal conductivity of Mg2V2O7 was identified.•High-temperature thermodynamic properties of Mg2V2O7 was experimentally measured.•Preparation of Mg2V2O7 using V2O5 and Mg(OH)2 as precursors are recommended due to their thermodynamic superiority.

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关键词

Mg2V2O7,Phase transitions,Lattice dynamics,Thermal transport properties,Thermodynamic properties

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