Journal
NANOSCALE
Volume 8, Issue 3, Pages 1503-1512Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5nr05337d
Keywords
-
Categories
Funding
- Major State Basic Research Development Programs of China [2011CBA00701]
- National Natural Science Foundation of China [21473010, 21303007]
Ask authors/readers for more resources
In recent years, perovskite solar cells have been considerably developed, however the lead in the absorber MAPbI(3) is a potential threat to the environment. To explore potential alternatives, the structural and electronic properties of MAGeX(3) (X = Cl, Br, I) were investigated using different density functional theory methods, including GGA-PBE, PBE-SOC, HSE06 and HSE-SOC. The results implied that MAGeI(3) exhibits an analogous band gap, substantial stability, remarkable optical properties, and significant hole and electron conductive behavior compared with the so far widely used absorber MAPbI(3). Moreover, the calculations revealed that the energy splitting resulting from the spin-orbit coupling is evident on Pb, moderate on Ge, I and Br, and negligible on Cl. Our work not only sheds some light on screening novel absorbers for perovskite solar cells but also deepens the understanding of these functional materials.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available