Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency

Ran, Niva A.; Roland, Steffen; Love, John A.; Savikhin, Victoria; Takacs, Christopher J.; Fu, Yao -Tsung; Li, Hong; Coropceanu, Veaceslav; Liu, Xiaofeng; Bredas, Jean -Luc; Bazan, Guillermo C.; Toney, Michael F.; Neher, Dieter; Nguyen, Thuc -Quyen

doi:10.1038/s41467-017-00107-4

Title: Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency

Journal Article · Wed Jul 19 00:00:00 EDT 2017 · Nature Communications

DOI:https://doi.org/10.1038/s41467-017-00107-4· OSTI ID:1374371

Ran, Niva A. ^[1]; Roland, Steffen ^[2]; Love, John A. ^[3]; Savikhin, Victoria ^[4]; Takacs, Christopher J. ^[5]; Fu, Yao -Tsung ^[6];

^[6]; Coropceanu, Veaceslav ^[6]; Liu, Xiaofeng ^[1]; Bredas, Jean -Luc ^[6]; Bazan, Guillermo C. ^[1];

^[7]; Neher, Dieter ^[2]; Nguyen, Thuc -Quyen ^[1]

Univ. of California, Santa Barbara, CA (United States)
Univ. of Potsdam, Potsdam (Germany)
Univ. of California, Santa Barbara, CA (United States); Univ. of Potsdam, Potsdam (Germany)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
Univ. of California, Santa Barbara, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Georgia Institute of Technology, Atlanta, GA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)

Here, a long standing question in organic electronics concerns the effects of molecular orientation at donor/acceptor heterojunctions. Given a well-controlled donor/acceptor bilayer system, we uncover the genuine effects of molecular orientation on charge generation and recombination. These effects are studied through the point of view of photovoltaics—however, the results have important implications on the operation of all optoelectronic devices with donor/acceptor interfaces, such as light emitting diodes and photodetectors. Our findings can be summarized by two points. First, devices with donor molecules face-on to the acceptor interface have a higher charge transfer state energy and less non-radiative recombination, resulting in larger open-circuit voltages and higher radiative efficiencies. Second, devices with donor molecules edge-on to the acceptor interface are more efficient at charge generation, attributed to smaller electronic coupling between the charge transfer states and the ground state, and lower activation energy for charge generation.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1374371

Journal Information:: Nature Communications, Vol. 8, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 196 works

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Effects of interlayer properties on the performance of tandem organic solar cells with low and high band gap polymers Jiang, Zenan; Gholamkhass, Bobak; Servati, Peyman Journal of Materials Research, Vol. 34, Issue 14 https://doi.org/10.1557/jmr.2019.168	journal	May 2019
Organic solar cells based on non-fullerene acceptors. Hou, Jianhui; Inganäs, Olle; Friend, Richard Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.22015	text	January 2018
Probing the pathways of free charge generation in organic bulk heterojunction solar cells Kurpiers, Jona; Ferron, Thomas; Roland, Steffen Nature Research https://doi.org/10.5445/ir/1000083958	text	January 2018
Organic solar cells based on non-fullerene acceptors. Hou, Jianhui; Inganäs, Olle; Friend, Richard Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.47720	text	January 2018
Polymer morphology and interfacial charge transfer dominate over energy-dependent scattering in organic-inorganic thermoelectrics Kumar, Pawan; Zaia, Edmond W.; Yildirim, Erol arXiv https://doi.org/10.48550/arxiv.1810.03248	text	January 2018
Direct observation of state-filling at hybrid tin oxide/organic interfaces Hörmann, Ulrich; Zeiske, Stefan; Park, Soohyung arXiv https://doi.org/10.48550/arxiv.1811.05880	text	January 2018
Kinetic Versus Thermodynamic Orientational Preferences for a Series of Isomorphic Molecular Semiconductors Seifrid, Martin T.; Oosterhout, Stefan D.; Toney, Michael F. ACS Omega, Vol. 3, Issue 8 https://doi.org/10.1021/acsomega.8b01435	journal	August 2018
Order enables efficient electron-hole separation at an organic heterojunction with a small energy loss. Menke, S. Matthew; Cheminal, Alexandre; Conaghan, Patrick Springer Science and Business Media LLC https://doi.org/10.17863/cam.18578	journalarticle	January 2018

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