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논문 해외 국제전문학술지(SCI급) BAND GAP ENGINEERING OF CS3BI2I9 PEROVSKITES WITH TRIVALENT ATOMS USING A DUAL METAL CATION

  • 학술지 구분 국제전문학술지(SCI급)
  • 게재년월 2017-01
  • 저자명 홍기하공동(교신),IM, SH (IM, SANG HYUK),KIM, H (KIM, HYUNGJUN),DEBBICHI, L (DEBBICHI, LAMJED,KIM, J (IM, JONGSEOB)
  • 학술지명 JOURNAL OF PHYSICAL CHEMISTRY C
  • 발행처명 AMER CHEMICAL SOC
  • 발행국가 해외
  • 논문언어 외국어
  • 전체저자수 5

논문 초록 (Abstract)

Ternary metal halides (A3X2I9) have attracted considerable interest because they have good stability and reduced toxicity compared with Pb-based halide perovskites. The main issue with A3X2I9 is their band gap, which is relatively large for use in a single junction solar cell (1.9–2.2 eV for the Cs3Bi2I9). This theoretical study found that the band gap of Cs3Bi2I9 can be successfully modulated by using dual metal cations, i.e., by forming Cs3BiXI9 (X: trivalent cation). Among the various trivalent atoms investigated, In and Ga showed very promising band gap modulation behaviors. Additionally, the indirect band gap of Cs3Bi2I9 can be changed into a direct band gap.