• 文献标题:   Ultra-high thermoelectric performance in graphene incorporated Cu2Se: Role of mismatching phonon modes
  • 文献类型:   Article
  • 作  者:   LI M, CORTIE DL, LIU JX, YU DH, ISLAM SMKN, ZHAO LL, MITCHELL DRG, MOLE RA, CORTIE MB, DOU SX, WANG XL
  • 作者关键词:   thermoelectric, cu2se/graphene nanocomposite, interfacial thermal resistance, density functional theory
  • 出版物名称:   NANO ENERGY
  • ISSN:   2211-2855 EI 2211-3282
  • 通讯作者地址:   Univ Wollongong
  • 被引频次:   15
  • DOI:   10.1016/j.nanoen.2018.09.041
  • 出版年:   2018

▎ 摘  要

A thermoelectric material consisting of Cu2Se incorporated with up to 0.45 wt% of graphene nanoplates is reported. The carbon-reinforced Cu2Se exhibits an ultra-high thermoelectric figure-of-merit of zT = 2.44 +/- 0.25 at 870 K. Microstructural characterization reveals dense, nanostructured grains of Cu2Se with multilayer-graphene and graphite agglomerations located at grain boundaries. High temperature X-ray diffraction shows that the graphene incorporated Cu2Se matrix retains a cubic structure and the composite microstructure is chemically stable. Based on the experimental structure, density functional theory was used to calculate the formation energy of carbon point defects and the associated phonon density of states. The isolated carbon inclusion is shown to have a high formation energy in Cu2Se whereas graphene and graphite phases are enthalpically stable relative to the solid solution. Neutron spectroscopy proves that there is a frequency mismatch in the phonon density of states between the carbon honeycomb phases and cubic Cu2Se. This provides a mechanism for the strong scattering of phonons at the composite interfaces, which significantly impedes the conduction of heat and enhances thermoelectric performance.