Abstract
We investigate the role of the A-site cation in the lattice strain of metal halide perovskites (MHPs) upon light illumination and heating - two inevitable factors during the operation of photovoltaic devices. We reveal that the A-site cation plays an important role in light-induced strain in MHPs. Density functional theory calculations indicate that hydrogen-bonding interactions and ionization energy of the A-site cation are potential reasons responsible for the light-induced lattice strain in MHPs. These findings offer an approach to modulate the light-induced strain in MHPs, which is critical for further improving the efficiency and stability of MHP photovoltaics.
| Original language | English |
|---|---|
| Pages (from-to) | 2068-2072 |
| Number of pages | 5 |
| Journal | ACS Applied Energy Materials |
| Volume | 4 |
| Issue number | 3 |
| DOIs | |
| State | Published - Mar 22 2021 |
Funding
This research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. A part of the XRD measurements were performed at the Joint Institute for Advanced Materials (JIAM) Diffraction Facility, located at the University of Tennessee, Knoxville. M.A. acknowledges support from StART, a UTK-ORNL science alliance program. We thank the Center for Materials Processing, a Center of Excellence at the University of Tennessee Higher Education Commission, for financial support (B.H.).
Keywords
- cation
- lattice expansion
- light-induced strain
- metal halide perovskites
- thermal-induced strain
