Comprehensive device simulation of barium silicide solar cells with diverse ETMs and HTMs.

The photovoltaic performances of n-i-p or inverted p-i-n BaSi2 homojunction solar cells are limited by the parasitic high light absorption of n-BaSi2 or p-BaSi2 window layer. In this work, diverse electron transport materials (ETMs) and hole transport materials (HTMs) are employed instead of BaSi2 as window layers to promote the performances of BaSi2 solar cells, and the effects of different ETMs and HTMs were simulated and comprehensively studied. For n-ETM/i-BaSi2/p-BaSi2 solar cells, the solar cell with ZnO exhibits the highest efficiency of 28.21%. As increasing the thicknesses of ETM layer from 5 nm to 100 nm, the efficiency for n-BaSi2/i-BaSi2/p-BaSi2 solar cell decreases seriously from 24.52% to 15.99%, while the solar cells with wide band gap ETMs including SnO2, TiO2 and ZnO show neglectable change in performances. The performances n-ETM/i-BaSi2/p-BaSi2 solar cells are affected by donor like defects more than acceptor like defects in i-BaSi2. For p-HTM/i-BaSi2/n-BaSi2 solar cells, employing Cu2O, CuI, CuSCN or NiO as HTM layer produces evident valence band discrepancies at HTM/i-BaSi2 interfaces. Heavy doping in HTM layer is necessary desired to overcome the energy band barriers. As increasing the thicknesses of HTM layer from 5 nm to 100 nm, the efficiency for p-BaSi2/i-BaSi2/n-BaSi2 solar cell also decreases from 24.52% to 15.99%, while the solar cells with wide band gap HTMs including CuI, CuSCN and NiO show neglectable change, and the efficiency for p-Cu2O/i-BaSi2/n-BaSi2 solar cells decreases slightly from 25.86% to 24.88%. The performances of p-HTM/i-BaSi2/n-BaSi2 solar cells are affected by acceptor like defects more than donor like defects in i-BaSi2. [ABSTRACT FROM AUTHOR]