Presentation Details
| Predictive Modeling of High-Efficiency Ternary Organic Solar Cells Using Transfer-Matrix Optics and Electrical Diode Simulation Mirza Sanita Haque, Simon Y Foo. Florida State University, Tallahassee, FL, USA |
Abstract
Organic solar cells (OSCs) enabled by Y-series non-fullerene acceptors have achieved rapid gains in power conversion efficiency (PCE), but optical losses and energetic trade-offs still limit further optimization. This work introduces a predictive optical–electrical simulation framework combining transfer-matrix optics and a single-diode JV model to evaluate binary and ternary OSCs based on PBDB-T-2F, PTQ10, D18, and Y7. The optical stack is simulated using the transfer-matrix method (TMM), and refractive indices of ternary donor blends are obtained through effective-medium approximation. Active layer absorptance is converted to external quantum efficiency (EQE) and integrated with AM1.5G photon flux to compute the short-circuit current density. The electrical model incorporates a parasitic-resistance-corrected diode solver and an energetic loss-based Voc estimation. Binary simulations reproduce expected trends: PBDB-T-2F:Y7 achieves a modeled PCE of 12.02% (Jsc
= 13.83 mA/cm², Voc = 1.010 V, FF = 86.1%), while PBDBT-2F:D18:Y7 delivers a higher PCE of 13.60% (Jsc = 15.92 mA/cm², Voc = 0.996 V, FF = 85.8%). For the ternary PBDB-T-2F:PTQ10:Y7 system, the optimal donor fraction (20% PTQ10) yields a PCE of 12.89% (Jsc = 15.41 mA/cm², Voc = 0.976 V, FF = 85.6%). Across all architectures, the addition of a MgF2 anti-reflection coating improves photocurrent and enhances the
absorption profile across the 500–650 nm region. These results demonstrate a generalizable predictive approach for ternary OSC
design and reveal how interference-driven optics, donor–acceptor energetics, and parasitic resistances jointly govern achievable efficiency in next-generation Y-series organic solar cells.
No part of this publication may be reproduced, distributed, or transmitted in any form or by any means, including photocopying, recording, or other electronic or mechanical methods, without the prior written permission of the author.
= 13.83 mA/cm², Voc = 1.010 V, FF = 86.1%), while PBDBT-2F:D18:Y7 delivers a higher PCE of 13.60% (Jsc = 15.92 mA/cm², Voc = 0.996 V, FF = 85.8%). For the ternary PBDB-T-2F:PTQ10:Y7 system, the optimal donor fraction (20% PTQ10) yields a PCE of 12.89% (Jsc = 15.41 mA/cm², Voc = 0.976 V, FF = 85.6%). Across all architectures, the addition of a MgF2 anti-reflection coating improves photocurrent and enhances the
absorption profile across the 500–650 nm region. These results demonstrate a generalizable predictive approach for ternary OSC
design and reveal how interference-driven optics, donor–acceptor energetics, and parasitic resistances jointly govern achievable efficiency in next-generation Y-series organic solar cells.
No part of this publication may be reproduced, distributed, or transmitted in any form or by any means, including photocopying, recording, or other electronic or mechanical methods, without the prior written permission of the author.
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