Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites

In the past few years, the efficiency of solar cells based on hybrid organic–inorganic perovskites has exceeded the level needed for commercialization. However, existing perovskites solar cells (PSCs) suffer from several intrinsic instabilities, which prevent them from reaching industrial maturity,...

Full description

Saved in:
Bibliographic Details
Published in:ChemSusChem 2016-09, Vol.9 (18), p.2648-2655
Main Authors: El-Mellouhi, Fedwa, Marzouk, Asma, Bentria, El Tayeb, Rashkeev, Sergey N., Kais, Sabre, Alharbi, Fahhad H.
Format: Article
Language:English
Subjects:
Anions
Calcium Compounds - chemistry
Cations
density functional theory
Drug Stability
Electrons
Halides
Halogens - chemistry
Hydrogen Bonding
Hydrogen bonds
Methylamines - chemistry
Models, Molecular
Molecular Conformation
Oxides - chemistry
perovskite
Perovskites
Photovoltaic cells
Solar cells
Stability
Titanium - chemistry
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In the past few years, the efficiency of solar cells based on hybrid organic–inorganic perovskites has exceeded the level needed for commercialization. However, existing perovskites solar cells (PSCs) suffer from several intrinsic instabilities, which prevent them from reaching industrial maturity, and stabilizing PSCs has become a critically important problem. Here we propose to stabilize PSCs chemically by strengthening the interactions between the organic cation and inorganic anion of the perovskite framework. In particular, we show that replacing the methylammonium cation with alternative protonated cations allows an increase in the stability of the perovskite by forming strong hydrogen bonds with the halide anions. This interaction also provides opportunities for tuning the electronic states near the bandgap. These mechanisms should have a universal character in different hybrid organic–inorganic framework materials that are widely used. Bound together: Density functional theory is used to investigate the effect of internal hydrogen bonds on the stability of methylammonium lead halide perovskite layers for solar cell applications. Calculations show that replacing the methylammonium cation with alternative protonated cations allows an increase in the stability of the perovskite by forming strong hydrogen bonds with the halide anions.
ISSN:1864-5631
1864-564X
DOI:10.1002/cssc.201600864