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, 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.
Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, P.O. Box 5825, Doha, Qatar. felmellouhi@qf.org.qa.
Fedwa
http://orcid.org/0000-0002-9897-3534
F
El-Mellouhi
Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, P.O. Box 5825, Doha, Qatar.
Asma
http://orcid.org/0000-0001-9308-9494
A
Marzouk
Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, P.O. Box 5825, Doha, Qatar.
El Tayeb
http://orcid.org/0000-0003-1924-5705
ET
Bentria
Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, P.O. Box 5825, Doha, Qatar. srashkeev@qf.org.qa.
Sergey N
http://orcid.org/0000-0001-5798-0001
SN
Rashkeev
Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, P.O. Box 5825, Doha, Qatar.|College of Science and Engineering, Hamad Bin Khalifa University, Doha, Qatar.|Department of Chemistry, Physics, and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana, 47907, USA.
Sabre
http://orcid.org/0000-0003-0574-5346
S
Kais
Qatar Environment and Energy Research Institute (QEERI), Hamad Bin Khalifa University, P.O. Box 5825, Doha, Qatar.|College of Science and Engineering, Hamad Bin Khalifa University, Doha, Qatar.
Fahhad H
http://orcid.org/0000-0002-4131-8491
FH
Alharbi
D017610:Calcium Compounds / Q000737:chemistry*; D004355:Drug Stability; D004583:Electrons; D006219:Halogens / Q000737:chemistry; D006860:Hydrogen Bonding; D008744:Methylamines / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D010087:Oxides / Q000737:chemistry*; D014025:Titanium / Q000737:chemistry*
D017610:Calcium Compounds; D006219:Halogens; D008744:Methylamines; D010087:Oxides; C059910:perovskite; C027451:methylamine; D014025:Titanium
density functional theory; hydrogen bonding; perovskite; solar cells; stability