石墨炔材料热电输运特性及调控的研究进展

Research progress on the thermoelectric transport characterization and regulation of graphyne materials

石墨炔是一种由sp和sp^(2)碳原子构成的碳基纳米结构材料,具有丰富的碳化学键、特殊的电子结构和优异的半导体性能,可作为低温型热电材料,在热电材料领域具有良好的应用前景。从第一性原理计算的角度,综述了石墨炔的热电输运特性研究进展,阐述了其微观机理,分析了不同调控方式对石墨炔热电输运特性的影响。可为石墨炔在热电领域的应用提供理论借鉴和参考。

Graphyne is a carbon-based nanomaterial composed of sp and sp^(2) carbon atoms,with abundant carbon chemical bonds,special electronic structure,and excellent semiconductor properties,which can be used as a low-temperature thermoelectric material,and has a good application prospect in the field of thermoelectric materials.In this paper,we reviewed the research progress on the thermoelectric transport properties of graphyne from the perspective of first-principles calculations,described its microscopic mechanism,and analyzed the effects of different modulation methods on the thermoelectric transport properties of graphyne,which provided theoretical reference for the application of graphyne in the field of thermoelectricity.