TY - JOUR
T1 - From Femtoseconds to Gigaseconds
T2 - The SolDeg Platform for the Performance Degradation Analysis of Silicon Heterojunction Solar Cells
AU - Unruh, Davis
AU - Meidanshahi, Reza Vatan
AU - Hansen, Chase
AU - Manzoor, Salman
AU - Bertoni, Mariana I.
AU - Goodnick, Stephen M.
AU - Zimanyi, Gergely T.
N1 - Publisher Copyright:
© 2021 American Chemical Society.
PY - 2021/7/14
Y1 - 2021/7/14
N2 - Heterojunction Si solar cells exhibit notable performance degradation. We modeled this degradation by electronic defects getting generated by thermal activation across energy barriers over time. To analyze the physics of this degradation, we developed the SolDeg platform to simulate the dynamics of electronic defect generation. First, femtosecond molecular dynamics simulations were performed to create a-Si/c-Si stacks, using the machine learning-based Gaussian approximation potential. Second, we created shocked clusters by a cluster blaster method. 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 heterojunction solar cells 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) over at least 10 orders of magnitude in time. (4) We found that in relative terms, Voc 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 tnormal ∝ taccel T(accel)/T(normal). (6) We also 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.
AB - Heterojunction Si solar cells exhibit notable performance degradation. We modeled this degradation by electronic defects getting generated by thermal activation across energy barriers over time. To analyze the physics of this degradation, we developed the SolDeg platform to simulate the dynamics of electronic defect generation. First, femtosecond molecular dynamics simulations were performed to create a-Si/c-Si stacks, using the machine learning-based Gaussian approximation potential. Second, we created shocked clusters by a cluster blaster method. 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 heterojunction solar cells 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) over at least 10 orders of magnitude in time. (4) We found that in relative terms, Voc 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 tnormal ∝ taccel T(accel)/T(normal). (6) We also 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.
KW - Monte Carlo
KW - amorphous silicon
KW - density functional theory
KW - interface defects
KW - molecular dynamics
KW - silicon heterojunctions
KW - solar cells
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U2 - 10.1021/acsami.1c04716
DO - 10.1021/acsami.1c04716
M3 - Article
C2 - 34185509
AN - SCOPUS:85110999059
SN - 1944-8244
VL - 13
SP - 32424
EP - 32434
JO - ACS Applied Materials and Interfaces
JF - ACS Applied Materials and Interfaces
IS - 27
ER -