Title:	Molecular dynamics simulation on the behavior of the interface of perovskite/silicon tandem solar cells
DNr:	SNIC 2022/5-264
Project Type:	SNIC Medium Compute
Principal Investigator:	Lanlan He <lanlanhe@kth.se>
Affiliation:	Kungliga Tekniska högskolan
Duration:	2022-05-30 – 2023-06-01
Classification:	10407
Keywords:

Abstract

Tandem solar cells have the potential advantage of generating high power conversion efficiency, which is by combining solar cells suitable for long and short wavelength spectra. Recently, perovskite/crystalline silicon tandem structure have received a great deal of attention for high conversion efficiency using perovskite as a top cell and crystalline silicon as a bottom cell because of the low material. However, a variety of factors influence the performance of tandem solar cell, such as fabrication issues on textured surfaces, parasitic absorption, reflection losses, nonideal perovskite absorber layer bandgap, device instability, and large-area fabrication. The behavior and charge transfer of the interface on tandem solar cells are critical for the improvement of the power conversion efficiency (PCE) of tandem solar cells, which cannot be studied by experiment. Therefore, molecular dynamic (MD) simulations are necessary to be performed to study it. Here, we plan to use semi-empirical density function theory to simulate the interfacial behavior of perovskite/silicon tandem solar cell, which can provide some new insight into developing the PCE of perovskite/silicon tandem solar cell.