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Title: Drift-Diffusion Modeling of the Effects of Structural Disorder and Carrier Mobility on the Performance of Organic Photovoltaic Devices

Abstract

We probe the effects of structural disorder on the performance of organic photovoltaic (OPV) devices via drift-diffusion modeling. Here, we utilize ensembles of spatially disordered one-dimensional mobility profiles to approximate the three-dimensional structural disorder present in actual devices. Each replica in our ensemble approximates one high-conductivity pathway through the three-dimensional network(s) present in a polymer-based bulk heterojunction solar cell, so that the ensemble-averaged behavior provides a good approximation to a full three-dimensional structurally disordered device. Our calculations show that the short-circuit current, fill factor, and power conversion efficiency of simulated devices are all negatively impacted by the inclusion of structural disorder, but that the open-circuit voltage is nearly impervious to structural defects. This is in contrast to energetic disorder, where previous studies found that spatial variation in the energy in OPV active layers causes a decrease in the open-circuit voltage. We also show that structural disorder causes the greatest detriment to device performance for feature sizes between 2 and 10 nm. Since this is on the same length scale as the fullerene crystallites in experimental devices, it suggests both that controlling structural disorder is critical to the performance of OPV devices and that the effects of structural disorder should bemore » included in future drift-diffusion modeling studies of organic solar cells.« less

Authors:
 [1];  [1]
  1. Univ. of California, Los Angeles, CA (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Molecularly Engineered Energy Materials (MEEM)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF)
OSTI Identifier:
1370220
Alternate Identifier(s):
OSTI ID: 1224611
Grant/Contract Number:  
SC0001342; 1112569; 1510353
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Volume: 4; Journal Issue: 3; Related Information: MEEM partners with University of California, Los Angeles (lead); University of California, Berkeley; Eastern Washington University; University of Kansas; National Renewable Energy Laboratory; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Finck, Benjamin Y., and Schwartz, Benjamin J. Drift-Diffusion Modeling of the Effects of Structural Disorder and Carrier Mobility on the Performance of Organic Photovoltaic Devices. United States: N. p., 2015. Web. doi:10.1103/PhysRevApplied.4.034006.
Finck, Benjamin Y., & Schwartz, Benjamin J. Drift-Diffusion Modeling of the Effects of Structural Disorder and Carrier Mobility on the Performance of Organic Photovoltaic Devices. United States. doi:10.1103/PhysRevApplied.4.034006.
Finck, Benjamin Y., and Schwartz, Benjamin J. Mon . "Drift-Diffusion Modeling of the Effects of Structural Disorder and Carrier Mobility on the Performance of Organic Photovoltaic Devices". United States. doi:10.1103/PhysRevApplied.4.034006. https://www.osti.gov/servlets/purl/1370220.
@article{osti_1370220,
title = {Drift-Diffusion Modeling of the Effects of Structural Disorder and Carrier Mobility on the Performance of Organic Photovoltaic Devices},
author = {Finck, Benjamin Y. and Schwartz, Benjamin J.},
abstractNote = {We probe the effects of structural disorder on the performance of organic photovoltaic (OPV) devices via drift-diffusion modeling. Here, we utilize ensembles of spatially disordered one-dimensional mobility profiles to approximate the three-dimensional structural disorder present in actual devices. Each replica in our ensemble approximates one high-conductivity pathway through the three-dimensional network(s) present in a polymer-based bulk heterojunction solar cell, so that the ensemble-averaged behavior provides a good approximation to a full three-dimensional structurally disordered device. Our calculations show that the short-circuit current, fill factor, and power conversion efficiency of simulated devices are all negatively impacted by the inclusion of structural disorder, but that the open-circuit voltage is nearly impervious to structural defects. This is in contrast to energetic disorder, where previous studies found that spatial variation in the energy in OPV active layers causes a decrease in the open-circuit voltage. We also show that structural disorder causes the greatest detriment to device performance for feature sizes between 2 and 10 nm. Since this is on the same length scale as the fullerene crystallites in experimental devices, it suggests both that controlling structural disorder is critical to the performance of OPV devices and that the effects of structural disorder should be included in future drift-diffusion modeling studies of organic solar cells.},
doi = {10.1103/PhysRevApplied.4.034006},
journal = {Physical Review Applied},
number = 3,
volume = 4,
place = {United States},
year = {2015},
month = {9}
}

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