Charge Carrier Trapping at Surface Defects of Perovskite Solar Cell Absorbers: A First-Principles Study

Hiroki Uratani, Koichi Yamashita

研究成果: Article査読

127 被引用数 (Scopus)

抄録

The trapping of charge carriers at defects on surfaces or grain boundaries is detrimental for the performance of perovskite solar cells (PSCs). For example, it is the main limiting factor for carrier lifetime. Moreover, it causes hysteresis in the current-voltage curves, which is considered to be a serious issue for PSCs' operation. In this work, types of surface defects responsible for carrier trapping are clarified by a comprehensive first-principles investigation into surface defects of tetragonal CH3NH3PbI3 (MAPbI3). Considering defect formation energetics, it is proposed that a Pb-rich condition is preferred to an I-rich one; however, a moderate condition might possibly be the best choice. Our result paves the way for improving the performance of PSCs through a rational strategy of suppressing carrier trapping at surface defects.

本文言語English
ページ(範囲)742-746
ページ数5
ジャーナルJournal of Physical Chemistry Letters
8
4
DOI
出版ステータスPublished - 2017 2 16
外部発表はい

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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