Band Gap Engineering of Cs3Bi2I9 Perovskites with Trivalent Atoms Using a Dual Metal Cation

被引：60

作者：

Hong, Ki-Ha ^{[1
]}

Kim, Jongseob ^{[2
]}

Debbichi, Lamjed ^{[3
]}

Kim, Hyungjun ^{[3
]}

Im, Sang Hyuk ^{[4
]}

机构：

[1] Hanbat Natl Univ, Dept Mat Sci & Engn, 125 Dongseo Daero, Daejeon 305719, South Korea

[2] Samsung Elect Co Ltd, Samsung Adv Inst Technol, Yongin 446712, Gyeonggi Do, South Korea

[3] Korea Adv Inst Sci & Technol, Grad Sch Energy Environm Water & Sustainabil EEWS, Taejon 305701, South Korea

[4] Kyung Hee Univ, Dept Chem Engn, Funct Crystallizat Ctr ERC, 1732 Deogyeong Daero, Yongin 446701, Gyeonggi Do, South Korea

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2017年 / 121卷 / 01期

基金：

新加坡国家研究基金会;

关键词：

LEAD-FREE; HALIDE PEROVSKITES; SOLAR-CELLS; CH3NH3PBI3; EFFICIENCY; ABSORBER;

D O I：

10.1021/acs.jpcc.6b12426

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ternary metal halides (A(3)X(2)I(9)) have attracted considerable interest because they have good:stability and reduced toxicity compared with Pb-based halide perovskites. The main issue with A(3)X(2)I(9) 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. Cs3Bi2I9 (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 nand gap.

引用

页码：969 / 974

页数：6

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