Promising thermoelectric properties of phosphorenes

SEVİK C., Sevincli H.

NANOTECHNOLOGY, cilt.27, sa.35, 2016 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 27 Sayı: 35
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1088/0957-4484/27/35/355705
  • Dergi Adı: NANOTECHNOLOGY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Anahtar Kelimeler: thermoelectricity, phosphorene, ballistic transport, thermal conductivity, THERMAL TRANSPORT, HONEYCOMB STRUCTURES, BLACK, CONDUCTANCE, ANISOTROPY, SILICENE, MOBILITY
  • Anadolu Üniversitesi Adresli: Evet

Özet

Electronic, phononic, and thermoelectric transport properties of single layer black-and blue-phosphorene structures are investigated with first-principles based ballistic electron and phonon transport calculations employing hybrid functionals. The maximum values of room temperature thermoelectric figure of merit, ZT corresponding to armchair and zigzag directions of black-phosphorene, similar to 0.5 and similar to 0.25, are calculated as rather smaller than those obtained with first-principles based semiclassical Boltzmann transport theory calculations. On the other hand, the maximum value of room temperature ZT of blue-phosphorene is predicted to be substantially high and remarkable values as high as 2.5 are obtained for elevated temperatures. Besides the fact that these figures are obtained at the ballistic limit, our findings mark the strong possibility of high thermoelectric performance of blue-phosphorene in new generation thermoelectric applications.