From Femtoseconds to Gigaseconds: The SolDeg Platform for the Performance Degradation Analysis of Silicon Heterojunction Solar Cells

TL;DR

This paper introduces the SolDeg platform, a comprehensive modeling approach that simulates the long-term performance degradation of silicon heterojunction solar cells by analyzing defect generation across a wide range of timescales from femtoseconds to gigaseconds.

Contribution

We developed the SolDeg platform combining molecular dynamics, shock cluster analysis, and Monte Carlo simulations to model defect generation over 24 orders of magnitude in time, providing new insights into solar cell degradation.

Findings

Degradation is controlled by a broad distribution of energy barriers.

Defect density over time fits a stretched exponential model.

Degradation rate slows over extended periods.

Abstract

Heterojunction Si solar cells exhibit notable performance degradation. We developed the SolDeg platform to model this degradation as electronic defects getting generated by thermal activation across energy barriers over time. First, molecular dynamics simulations were performed to create a-Si/c-Si stacks, using a machine-learning-based Gaussian approximation potential. Second, we created shocked clusters by a cluster blaster. Third, the shocked clusters were analyzed to identify which of them supported electronic defects. Fourth, the distribution of energy barriers that control the generation of these electronic defects was determined. Fifth, an accelerated Monte Carlo method was developed to simulate the thermally activated time dependent defect generation across the barriers. Our main conclusions are as follows. (1) The degradation of a-Si/c-Si stacks via defect generation is controlled by a broad distribution of energy barriers. (2) We developed the SolDeg platform to track the microscopic dynamics of defect generation across this wide barrier distribution, and determined the time dependent defect density $N(t)$ from femtoseconds to gigaseconds, over 24 orders of magnitude in time. (3) We have shown that a stretched exponential analytical form can successfully describe the defect generation $N(t)$. (4) We found that in relative terms $V_\mathrm{oc}$ degrades at a rate of 0.2%/year over the first year, slowing with advancing time. (5) We developed the Time Correspondence Curve to calibrate and validate the accelerated testing of solar cells. We found a compellingly simple scaling relationship between accelerated and normal times $t_\mathrm{accelerated} \propto t_\mathrm{normal}^{0.85}$. (6) We ourselves carried out experimental studies of defect generation in a-Si:H/c-Si stacks. We found a relatively high degradation rate at early times, that slowed considerably at longer time scales.