High-throughput Morphology Prediction for Organic Solar Cells

Project Personnel

Zhenan Bao

Principal Investigator

Stanford University

Email

Vijay Pande

Stanford University

Email

Michael Toney

Stanford University

Email

Funding Divisions

Division of Materials Research (DMR)

Organic photovoltaic cells (OPVs) are alternatives to conventional solar cells as they promise low-cost mass production combined with lightweight and flexible applications. Many OPV materials have been reported in the literature, but few have shown efficiencies greater than 8%. The key challenge is to design materials that fulfill all the requirements. Predicting the nanoscale morphology remains one of the biggest challenge in predicting OPV performance. This project aims at an integrated research plan for the high throughput morphology prediction of OPV materials. A continuous feedback loop between theory, synthesis and characterization will facilitate the exchange of results and streamline the overall development process. A central theme of this project is to develop high-throughput techniques for computational morphology calculation and experimental characterization. The computational development takes advantage of the massive computing power provided by distributed volunteer computing networks. An extensive results and reference database will serve as the hub for the information exchange between the three participating groups. The vast amount of data accumulated in the course of this project will provide the foundation for a better understanding of the molecular structure/morphology correlations, and it will be an openly available resource for the OPV community.

Publications

Solution-Phase Conformation and Dynamics of Conjugated Isoindigo-Based Donor–Acceptor Polymer Single Chains
F. L. Lee, A. Barati Farimani, K. L. Gu, H. Yan, M. F. Toney, Z. Bao, and V. S. Pande
10/30/2017
Understanding the Impact of Oligomeric Polystyrene Side Chain Arrangement on the All‐Polymer Solar Cell Performance
T. Kurosawa, X. Gu, K. L. Gu, Y. Zhou, H. Yan, C. Wang, G. N. Wang, M. F. Toney, and Z. Bao
9/14/2017
Roll‐to‐Roll Printed Large‐Area All‐Polymer Solar Cells with 5% Efficiency Based on a Low Crystallinity Conjugated Polymer Blend
X. Gu, Y. Zhou, K. Gu, T. Kurosawa, Y. Guo, Y. Li, H. Lin, B. C. Schroeder, H. Yan, F. Molina‐Lopez, C. J. Tassone, C. Wang, S. C. B. Mannsfeld, H. Yan, D. Zhao, M. F. Toney, and Z. Bao
3/7/2017
Tuning domain size and crystallinity in isoindigo/PCBM organic solar cells via solution shearing
K. L. Gu, Y. Zhou, X. Gu, H. Yan, Y. Diao, T. Kurosawa, B. Ganapathysubramanian, M. F. Toney, and Z. Bao
1/1/2017
Comparison of the Morphology Development of Polymer–Fullerene and Polymer–Polymer Solar Cells during Solution‐Shearing Blade Coating
X. Gu, H. Yan, T. Kurosawa, B. C. Schroeder, K. L. Gu, Y. Zhou, J. W. F. To, S. D. Oosterhout, V. Savikhin, F. Molina‐Lopez, C. J. Tassone, S. C. B. Mannsfeld, C. Wang, M. F. Toney, and Z. Bao
8/22/2016
All-Polymer Solar Cells Employing Non-Halogenated Solvent and Additive
Y. Zhou, K. L. Gu, X. Gu, T. Kurosawa, H. Yan, Y. Guo, G. I. Koleilat, D. Zhao, M. F. Toney, and Z. Bao
7/11/2016
Non‐Conjugated Flexible Linkers in Semiconducting Polymers: A Pathway to Improved Processability without Compromising Device Performance
B. C. Schroeder, Y. Chiu, X. Gu, Y. Zhou, J. Xu, J. Lopez, C. Lu, M. F. Toney, and Z. Bao
5/19/2016
Direct Uniaxial Alignment of a Donor–Acceptor Semiconducting Polymer Using Single-Step Solution Shearing
L. Shaw, P. Hayoz, Y. Diao, J. A. Reinspach, J. W. F. To, M. F. Toney, R. T. Weitz, and Z. Bao
3/30/2016
Compact Roll-to-Roll Coater for in Situ X-ray Diffraction Characterization of Organic Electronics Printing
X. Gu, J. Reinspach, B. J. Worfolk, Y. Diao, Y. Zhou, H. Yan, K. Gu, S. Mannsfeld, M. F. Toney, and Z. Bao
1/12/2016

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Research Highlights

Designing Materials to Revolutionize and Engineer our Future (DMREF)