|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Materials for Energy Conversion and Storage
||Elucidating the Tailoring of Electrical Properties of MoOx Carrier Selective Contacts in Silicon Solar Cells Using Density Functional Theory Calculations
||Daniel Scott Lambert, Patrick Burr, Alison Lennon
|On-Site Speaker (Planned)
||Daniel Scott Lambert
MoOx is a promising candidate for hole-selective electrical contacts for silicon solar cells. It has been recently demonstrated that replacement of the p-type amorphous silicon layer of silicon heterojunction solar cells with a thin MoOx layer can increase the current generated due to reduced absorption in MoOx, resulting in an absolute efficiency gain of 1.7%.The electrical and chemical properties of MoOx are sensitive to the presence of intrinsic defects, especially oxygen vacancies, providing an opportunity to tailor the material’s properties by controlling the fabrication process. We use DFT simulations to predict the defect concentrations as a function of temperature and oxygen partial pressure, by constructing Brouwer diagrams. We identify the source of conflicting information in literature and establish a rigorous method to calculate defect energies in MoOx. We also demonstrate that significant amounts of Si penetration into MoOx may occur under high temperature or low oxygen partial pressure conditions.