969 lines
81 KiB
Text
969 lines
81 KiB
Text
<!DOCTYPE html>
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<html lang="en" dir="ltr" prefix="content: http://purl.org/rss/1.0/modules/content/ dc: http://purl.org/dc/terms/ foaf: http://xmlns.com/foaf/0.1/ og: http://ogp.me/ns# rdfs: http://www.w3.org/2000/01/rdf-schema# schema: http://schema.org/ sioc: http://rdfs.org/sioc/ns# sioct: http://rdfs.org/sioc/types# skos: http://www.w3.org/2004/02/skos/core# xsd: http://www.w3.org/2001/XMLSchema# ">
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<h1 class="nist-page__title">Characterization of Interfacial Structure in Polymer-Fullerene Bulk Heterojunctions via 13C {2H} Rotational Echo Double Resonance NMR</h1>
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<div class="nist-field__label">Published</div>
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<div class="nist-field__item"><time datetime="2018-07-13T12:00:00Z">July 13, 2018</time>
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<h3 class="nist-field__label">Author(s)</h3>
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<div class="nist-field__item"><span class="nist-author">Ryan C. Nieuwendaal</span>, <span class="nist-author">Dean M. DeLongchamp</span>, Martin Heeney, Jan Hummelen, <span class="nist-author">Chad R. Snyder</span>, <span class="nist-author">Ronald L. Jones</span>, <span class="nist-author">Sebastian Engmann</span>, <span class="nist-author">Lee J. Richter</span>, Zhuping Fei, Alex Sieval</div>
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<h3>Abstract</h3>
|
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We introduce a new application of solid state NMR measurements towards characterizing the donor-acceptor interfaces within bulk heterojunction (BHJ) films. Rotational echo double resonance (REDOR) is used to measure dipolar couplings between 13C nuclei on the acceptor phenyl-C61-butyric acid methyl ester (PCBM) fullerene cage, which is ≈18% isotopically enriched with 13C, and beta hydrogens on the donor poly(3-hexyl thiophene) (P3HT) main chain, which are >95% isotopically enriched with 2H. The 13C − 2H dipolar couplings are used for constraining possible models of molecular packing in the amorphous mixed phase of a P3HT=PCBM BHJ. The films studied are highly mixed (>80%) and have a maximum length scale of composition nonuniformity of ≈6 nm in the mixed phase, as demonstrated by 1H spin diffusion NMR and supported by TEM. The REDOR results show that despite the lack of phase separation at lengthscales greater than ≈6 nm, neat P3HT and PCBM clusters exist on ≈3 nm size scales, and, for the average PCBM molecule, the number of nearest neighbors P3HTs is two.
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<div class="nist-field__item">Physical Review Letters</div>
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<div class="nist-field__item">121</div>
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<div class="nist-field__item"><a href="https://doi.org/10.1103/PhysRevLett.121.026101" target="_blank">https://doi.org/10.1103/PhysRevLett.121.026101</a></div>
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<h3 class="nist-field__label">Keywords</h3>
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||
<div class="nist-field__item">Solid-state NMR, Polymer, Organic electronics, Composite, Bulk Heterojunction, Interface, Thin film</div>
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<article class="bibcite-reference">
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<div class="bibcite-citation">
|
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Nieuwendaal, R.
|
||
, DeLongchamp, D.
|
||
, Heeney, M.
|
||
, Hummelen, J.
|
||
, Snyder, C.
|
||
, Jones, R.
|
||
, Engmann, S.
|
||
, Richter, L.
|
||
, Fei, Z.
|
||
and Sieval, A.
|
||
|
||
(2018),
|
||
Characterization of Interfacial Structure in Polymer-Fullerene Bulk Heterojunctions via 13C {2H} Rotational Echo Double Resonance NMR, Physical Review Letters, [online], https://doi.org/10.1103/PhysRevLett.121.026101
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(Accessed March 4, 2025)
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If you have any questions about this publication or are having problems accessing it, please contact <a href="mailto:reflib@nist.gov" class="usa-link">reflib@nist.gov</a>.
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Created July 13, 2018, Updated November 10, 2018
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