The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics
Organic photovoltaic (OPV) devices hold a great deal of promise for the emerging solar market. However, to unlock this promise, it is necessary to understand how OPV devices generate free charges. Here, we analyze the energetics and charge delocalization of the interfacial charges in poly(p-phenylen...
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| Format: | Article |
| Language: | en_US |
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American Chemical Society (ACS)
2018
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| Online Access: | http://hdl.handle.net/1721.1/115096 https://orcid.org/0000-0002-7372-7505 https://orcid.org/0000-0001-7111-0176 |
| _version_ | 1811069556844658688 |
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| author | Kohn, Alexander Wolfe McMahon, David Paul Wen, Shuhao Van Voorhis, Troy |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Kohn, Alexander Wolfe McMahon, David Paul Wen, Shuhao Van Voorhis, Troy |
| author_sort | Kohn, Alexander Wolfe |
| collection | MIT |
| description | Organic photovoltaic (OPV) devices hold a great deal of promise for the emerging solar market. However, to unlock this promise, it is necessary to understand how OPV devices generate free charges. Here, we analyze the energetics and charge delocalization of the interfacial charges in poly(p-phenylenevinylene) (PPV)/[6,6]-phenyl-C₆₁-butyric acid methyl ester (PCBM) and poly(3-hexylthiophene-2,5-diyl) (P3HT)/PCBM devices. We find that, in the PPV system, the interface does not produce molecular disorder, but an interfacial electric field is formed upon the inclusion of environmental polarization that promotes charge separation. In contrast, the P3HT system shows a significant driving force for charge separation due to interfacial disorder confining the hole. However, this feature is overpowered by the polarization of the electronic environment, which generates a field that inhibits charge separation. In the two systems studied herein, electrostatic effects dominate charge separation, overpowering interfacially induced disorder. This suggests that, when balancing polymeric order with electrostratic effects, the latter should take priority. |
| first_indexed | 2024-09-23T08:12:14Z |
| format | Article |
| id | mit-1721.1/115096 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T08:12:14Z |
| publishDate | 2018 |
| publisher | American Chemical Society (ACS) |
| record_format | dspace |
| spelling | mit-1721.1/1150962022-09-30T08:17:57Z The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics Kohn, Alexander Wolfe McMahon, David Paul Wen, Shuhao Van Voorhis, Troy Massachusetts Institute of Technology. Department of Chemistry Voorhis, Troy Van Kohn, Alexander Wolfe McMahon, David Paul Wen, Shuhao Van Voorhis, Troy Organic photovoltaic (OPV) devices hold a great deal of promise for the emerging solar market. However, to unlock this promise, it is necessary to understand how OPV devices generate free charges. Here, we analyze the energetics and charge delocalization of the interfacial charges in poly(p-phenylenevinylene) (PPV)/[6,6]-phenyl-C₆₁-butyric acid methyl ester (PCBM) and poly(3-hexylthiophene-2,5-diyl) (P3HT)/PCBM devices. We find that, in the PPV system, the interface does not produce molecular disorder, but an interfacial electric field is formed upon the inclusion of environmental polarization that promotes charge separation. In contrast, the P3HT system shows a significant driving force for charge separation due to interfacial disorder confining the hole. However, this feature is overpowered by the polarization of the electronic environment, which generates a field that inhibits charge separation. In the two systems studied herein, electrostatic effects dominate charge separation, overpowering interfacially induced disorder. This suggests that, when balancing polymeric order with electrostratic effects, the latter should take priority. 2018-04-30T17:08:28Z 2018-04-30T17:08:28Z 2017-12 2017-09 Article http://purl.org/eprint/type/JournalArticle 1932-7447 1932-7455 http://hdl.handle.net/1721.1/115096 Kohn, Alexander W. et al. “The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics.” The Journal of Physical Chemistry C 121, 48 (November 2017): 26629–26636 © 2017 American Chemical Society https://orcid.org/0000-0002-7372-7505 https://orcid.org/0000-0001-7111-0176 en_US https://pubs.acs.org/doi/10.1021/acs.jpcc.7b08726 Journal of Physical Chemistry C Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Chemical Society (ACS) Prof. Van Voorhis via Erja Kajosalo |
| spellingShingle | Kohn, Alexander Wolfe McMahon, David Paul Wen, Shuhao Van Voorhis, Troy The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics |
| title | The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics |
| title_full | The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics |
| title_fullStr | The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics |
| title_full_unstemmed | The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics |
| title_short | The Impact of Carrier Delocalization and Interfacial Electric Field Fluctuations on Organic Photovoltaics |
| title_sort | impact of carrier delocalization and interfacial electric field fluctuations on organic photovoltaics |
| url | http://hdl.handle.net/1721.1/115096 https://orcid.org/0000-0002-7372-7505 https://orcid.org/0000-0001-7111-0176 |
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