• Login
    View Item 
    •   Home
    • Research
    • Articles
    • View Item
    •   Home
    • Research
    • Articles
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

    All of KAUSTCommunitiesIssue DateSubmit DateThis CollectionIssue DateSubmit Date

    My Account

    Login

    Quick Links

    Open Access PolicyORCID LibguideTheses and Dissertations LibguideSubmit an Item

    Statistics

    Display statistics

    Bulk Heterojunction Solar Cells: Impact of Minor Structural Modifications to the Polymer Backbone on the Polymer-Fullerene Mixing and Packing and on the Fullerene-Fullerene Connecting Network

    • CSV
    • RefMan
    • EndNote
    • BibTex
    • RefWorks
    Thumbnail
    Name:
    adfm.201705868.pdf
    Size:
    2.225Mb
    Format:
    PDF
    Description:
    Accepted manuscript
    Download
    Type
    Article
    Authors
    Wang, Tonghui
    Chen, Xian-Kai
    Ashokan, Ajith
    Zheng, Zilong
    Ravva, Mahesh Kumar
    Brédas, Jean-Luc
    KAUST Department
    KAUST Solar Center (KSC)
    Physical Science and Engineering (PSE) Division
    Date
    2018-01-25
    Online Publication Date
    2018-01-25
    Print Publication Date
    2018-04
    Permanent link to this record
    http://hdl.handle.net/10754/627241
    
    Metadata
    Show full item record
    Abstract
    The morphology of the active layer of a bulk heterojunction solar cell, made of a blend of an electron-donating polymer and an electron-accepting fullerene derivative, is known to play a determining role in device performance. Here, a combination of molecular dynamics simulations and long-range corrected density functional theory calculations is used to elucidate the molecular-scale effects that even minor structural changes to the polymer backbone can have on the “local” morphology; this study focuses on the extent of polymer–fullerene mixing, on their packing, and on the characteristics of the fullerene–fullerene connecting network in the mixed regions, aspects that are difficult to access experimentally. Three representative polymer donors are investigated: (i) poly[(5,6-difluoro-2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PffBT4T-2OD); (ii) poly[(2,1,3-benzothiadiazol-4,7-diyl)-alt-(3,3′″-di(2-octyldodecyl)-2,2′;5′,2″;5″,2′″-quaterthiophen-5,5′″-diyl)] (PBT4T-2OD), where the fluorine atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with hydrogen atoms; and (iii) poly[(2,2′-bithiophene)-alt-(4,7-bis((2-decyltetradecyl)thiophen-2-yl)-5,6-difluoro-2-propyl-2H-benzo[d][1,2,3]triazole)] (PT2-FTAZ), where the sulfur atoms in the benzothiadiazole moieties of PffBT4T-2OD are replaced with nitrogen atoms carrying a linear C3H7 side-chain; these polymers are mixed with the phenyl-C71-butyric acid methyl ester (PC71BM) acceptor. This study also discusses the nature of the charge-transfer electronic states appearing at the donor–acceptor interfaces, the electronic couplings relevant for the charge-recombination process, and the electron-transfer features between neighboring PC71BM molecules.
    Citation
    Wang, T., Chen, X.-K., Ashokan, A., Zheng, Z., Ravva, M. K., & Brédas, J.-L. (2018). Bulk Heterojunction Solar Cells: Impact of Minor Structural Modifications to the Polymer Backbone on the Polymer-Fullerene Mixing and Packing and on the Fullerene-Fullerene Connecting Network. Advanced Functional Materials, 28(14), 1705868. doi:10.1002/adfm.201705868
    Sponsors
    This work was supported by the Office of Naval Research in the framework of Award Nos. N00014-16-1-2520 and N00014-17-1-2208, as well as by the Georgia Institute of Technology. The work at KAUST was supported internally in the framework of the Collaborative Research Grant program.
    Publisher
    Wiley
    Journal
    Advanced Functional Materials
    DOI
    10.1002/adfm.201705868
    Additional Links
    http://onlinelibrary.wiley.com/doi/10.1002/adfm.201705868/full
    https://rss.onlinelibrary.wiley.com/doi/am-pdf/10.1002/adfm.201705868
    ae974a485f413a2113503eed53cd6c53
    10.1002/adfm.201705868
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; KAUST Solar Center (KSC)

    entitlement

     
    DSpace software copyright © 2002-2023  DuraSpace
    Quick Guide | Contact Us | KAUST University Library
    Open Repository is a service hosted by 
    Atmire NV
     

    Export search results

    The export option will allow you to export the current search results of the entered query to a file. Different formats are available for download. To export the items, click on the button corresponding with the preferred download format.

    By default, clicking on the export buttons will result in a download of the allowed maximum amount of items. For anonymous users the allowed maximum amount is 50 search results.

    To select a subset of the search results, click "Selective Export" button and make a selection of the items you want to export. The amount of items that can be exported at once is similarly restricted as the full export.

    After making a selection, click one of the export format buttons. The amount of items that will be exported is indicated in the bubble next to export format.