Open AccessAg/In lead‐free double perovskites
Author(s) -
Liu Fang,
Marongiu Daniela,
Pau Riccardo,
Sarritzu Valerio,
Wang Qingqian,
Lai Stefano,
Lehmann Alessandra G.,
Quochi Francesco,
Saba Michele,
Mura Andrea,
Bongiovanni Giovanni,
Mattoni Alessandro,
Caddeo Claudia,
Bosin Andrea,
Filippetti Alessio
Publication year - 2020
Publication title -
ecomat
Language(s) - English
Resource type - Journals
ISSN - 2567-3173
DOI - 10.1002/eom2.12017
Subject(s) - band gap , absorption (acoustics) , materials science , transmittance , photoluminescence , optoelectronics , ab initio , solar cell , lead (geology) , ab initio quantum chemistry methods , chemistry , molecule , geomorphology , composite material , geology , organic chemistry
Lead‐free Cs 2 AgInCl 6 and Cs 2 AgInBr 6 double perovskites are studied by a combination of advanced ab‐initio calculations and photoluminescence experiments. We show that they are insulators with direct band gaps of 2.53 and 1.17 eV, respectively; most importantly, they are characterized by unusually low absorption rates in a ~1 eV wide energy region above the band gap, caused by rather peculiar electronic properties. Consequently, this low absorption conveys very long recombination lifetimes, up to milliseconds at low temperature. Our theoretical analysis suggests that such materials can achieve a good compromise between photoconversion efficiency (above 10%) and visible transmittance (above 30%), which makes them potentially suited for lead‐free semitransparent solar cell applications.