Bismuth doping of graphene

Akturk O. U., TOMAK M.

APPLIED PHYSICS LETTERS, cilt.96, sa.8, 2010 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 96 Sayı: 8
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1063/1.3334723
  • Dergi Adı: APPLIED PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Anahtar Kelimeler: adsorption, bismuth, density functional theory, doping profiles, electronic structure, elemental semiconductors, gradient methods, graphene, semiconductor doping, DYNAMICS, CARBON
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

In this work, we have studied bismuth as a dopant in graphene using density functional theory (DFT). We find that bismuth is weakly physisorbed within DFT. On the other hand, we show that bismuth n-dopes graphene when it is substitutional. We observe that local density approximation results give higher substitutional energy than that of generalized gradient approximation. The electronic structure of graphene is changed when Bi is substitutional.