skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide

Abstract

Electron injection competes with singlet fission in disordered monolayers of tetracene and pentacene-based dyes on mesoporous TiO 2 photoelectrodes.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [2]; ORCiD logo [3]; ORCiD logo [2]
  1. National Renewable Energy Laboratory, Golden, USA, Department of Chemistry and Biochemistry, University of Colorado
  2. National Renewable Energy Laboratory, Golden, USA
  3. Department of Chemistry, University of Kentucky, Lexington, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1422640
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
Journal Name: Chemical Science Journal Volume: 9 Journal Issue: 11; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Pace, Natalie A., Arias, Dylan H., Granger, Devin B., Christensen, Steven, Anthony, John E., and Johnson, Justin C. Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide. United Kingdom: N. p., 2018. Web. doi:10.1039/C7SC04688J.
Pace, Natalie A., Arias, Dylan H., Granger, Devin B., Christensen, Steven, Anthony, John E., & Johnson, Justin C. Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide. United Kingdom. doi:10.1039/C7SC04688J.
Pace, Natalie A., Arias, Dylan H., Granger, Devin B., Christensen, Steven, Anthony, John E., and Johnson, Justin C. Mon . "Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide". United Kingdom. doi:10.1039/C7SC04688J.
@article{osti_1422640,
title = {Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide},
author = {Pace, Natalie A. and Arias, Dylan H. and Granger, Devin B. and Christensen, Steven and Anthony, John E. and Johnson, Justin C.},
abstractNote = {Electron injection competes with singlet fission in disordered monolayers of tetracene and pentacene-based dyes on mesoporous TiO 2 photoelectrodes.},
doi = {10.1039/C7SC04688J},
journal = {Chemical Science},
number = 11,
volume = 9,
place = {United Kingdom},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C7SC04688J

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Solar conversion efficiency of photovoltaic and photoelectrolysis cells with carrier multiplication absorbers
journal, October 2006

  • Hanna, M. C.; Nozik, A. J.
  • Journal of Applied Physics, Vol. 100, Issue 7
  • DOI: 10.1063/1.2356795

Control of Energy Flow Dynamics between Tetracene Ligands and PbS Quantum Dots by Size Tuning and Ligand Coverage
journal, January 2018


Functionalized pentacenes for dye-sensitized solar cells
journal, January 2011


Multiple exciton generation for photoelectrochemical hydrogen evolution reactions with quantum yields exceeding 100%
journal, April 2017


Nature of Photovoltaic Action in Dye-Sensitized Solar Cells
journal, March 2000

  • Cahen, David; Hodes, Gary; Grätzel, Michael
  • The Journal of Physical Chemistry B, Vol. 104, Issue 9
  • DOI: 10.1021/jp993187t

Hybrid pentacene/a-silicon solar cells utilizing multiple carrier generation via singlet exciton fission
journal, October 2012

  • Ehrler, Bruno; Musselman, Kevin P.; Böhm, Marcus L.
  • Applied Physics Letters, Vol. 101, Issue 15
  • DOI: 10.1063/1.4757612

Recent Advances in Singlet Fission
journal, April 2013


Singlet Exciton Fission in Nanostructured Organic Solar Cells
journal, April 2011

  • Jadhav, Priya J.; Mohanty, Aseema; Sussman, Jason
  • Nano Letters, Vol. 11, Issue 4
  • DOI: 10.1021/nl104202j

Polymorphism influences singlet fission rates in tetracene thin films
journal, January 2016

  • Arias, Dylan H.; Ryerson, Joseph L.; Cook, Jasper D.
  • Chemical Science, Vol. 7, Issue 2
  • DOI: 10.1039/C5SC03535J

Photocurrent Enhanced by Singlet Fission in a Dye-Sensitized Solar Cell
journal, January 2015

  • Schrauben, Joel N.; Zhao, Yixin; Mercado, Candy
  • ACS Applied Materials & Interfaces, Vol. 7, Issue 4
  • DOI: 10.1021/am506329v

Charge-Transfer Excitations Steer the Davydov Splitting and Mediate Singlet Exciton Fission in Pentacene
journal, May 2013


Peak External Photocurrent Quantum Efficiency Exceeding 100% via MEG in a Quantum Dot Solar Cell
journal, December 2011


Systematic Modulation of Quantum (Electron) Tunneling Behavior by Atomic Layer Deposition on Nanoparticulate SnO 2 and TiO 2 Photoanodes
journal, October 2013

  • Prasittichai, Chaiya; Avila, Jason R.; Farha, Omar K.
  • Journal of the American Chemical Society, Vol. 135, Issue 44
  • DOI: 10.1021/ja4089555

Dynamic Characteristics of Aggregation Effects of Organic Dyes in Dye-Sensitized Solar Cells
journal, September 2015

  • Feng, Shuai; Li, Quan-Song; Sun, Ping-Ping
  • ACS Applied Materials & Interfaces, Vol. 7, Issue 40
  • DOI: 10.1021/acsami.5b06743

The energy barrier in singlet fission can be overcome through coherent coupling and entropic gain
journal, August 2012

  • Chan, Wai-Lun; Ligges, Manuel; Zhu, X-Y.
  • Nature Chemistry, Vol. 4, Issue 10
  • DOI: 10.1038/nchem.1436

Exciton Delocalization Drives Rapid Singlet Fission in Nanoparticles of Acene Derivatives
journal, May 2015

  • Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.
  • Journal of the American Chemical Society, Vol. 137, Issue 21
  • DOI: 10.1021/ja512668r

Soluble n-type pentacene derivatives as novel acceptors for organic solar cells
journal, January 2009

  • Lim, Yee-Fun; Shu, Ying; Parkin, Sean R.
  • Journal of Materials Chemistry, Vol. 19, Issue 19
  • DOI: 10.1039/b818693f

Exciton Fission and Fusion in Bis(tetracene) Molecules with Different Covalent Linker Structures
journal, November 2007

  • Müller, Astrid M.; Avlasevich, Yuri S.; Schoeller, Wolfgang W.
  • Journal of the American Chemical Society, Vol. 129, Issue 46, p. 14240-14250
  • DOI: 10.1021/ja073173y

Microscopic theory of singlet exciton fission. III. Crystalline pentacene
journal, August 2014

  • Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R.
  • The Journal of Chemical Physics, Vol. 141, Issue 7
  • DOI: 10.1063/1.4892793

Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State
journal, December 2017

  • Pace, Natalie A.; Zhang, Weimin; Arias, Dylan H.
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 24
  • DOI: 10.1021/acs.jpclett.7b02750

Lead Telluride Quantum Dot Solar Cells Displaying External Quantum Efficiencies Exceeding 120%
journal, November 2015


Observation of Two Triplet-Pair Intermediates in Singlet Exciton Fission
journal, June 2016

  • Pensack, Ryan D.; Ostroumov, Evgeny E.; Tilley, Andrew J.
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 13
  • DOI: 10.1021/acs.jpclett.6b00947

Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
journal, January 2014

  • Xu, Xiaomin; Shan, Bowen; Kalytchuk, Sergii
  • Chem. Commun., Vol. 50, Issue 85
  • DOI: 10.1039/C4CC04627G

Singlet Exciton Fission Photovoltaics
journal, April 2013

  • Lee, Jiye; Jadhav, Priya; Reusswig, Philip D.
  • Accounts of Chemical Research, Vol. 46, Issue 6
  • DOI: 10.1021/ar300288e

Singlet fission efficiency in tetracene-based organic solar cells
journal, May 2014

  • Wu, Tony C.; Thompson, Nicholas J.; Congreve, Daniel N.
  • Applied Physics Letters, Vol. 104, Issue 19
  • DOI: 10.1063/1.4876600

An Optimal Driving Force for Converting Excitons into Free Carriers in Excitonic Solar Cells
journal, April 2012

  • Coffey, David C.; Larson, Bryon W.; Hains, Alexander W.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 16
  • DOI: 10.1021/jp302275z

Observing the Multiexciton State in Singlet Fission and Ensuing Ultrafast Multielectron Transfer
journal, December 2011


A Microscopic Model of Singlet Fission
journal, September 2012

  • Teichen, Paul E.; Eaves, Joel D.
  • The Journal of Physical Chemistry B, Vol. 116, Issue 37
  • DOI: 10.1021/jp208905k

Electronic Properties of T i O 2 Nanoparticles Films and the Effect on Apatite-Forming Ability
journal, January 2013

  • Löberg, Johanna; Perez Holmberg, Jenny; Mattisson, Ingela
  • International Journal of Dentistry, Vol. 2013
  • DOI: 10.1155/2013/139615

How Morphology Affects Singlet Fission in Crystalline Tetracene
journal, May 2015

  • Piland, Geoffrey B.; Bardeen, Christopher J.
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 10
  • DOI: 10.1021/acs.jpclett.5b00569

Singlet exciton fission in solution
journal, November 2013

  • Walker, Brian J.; Musser, Andrew J.; Beljonne, David
  • Nature Chemistry, Vol. 5, Issue 12
  • DOI: 10.1038/nchem.1801

Singlet fission in pentacene dimers
journal, April 2015

  • Zirzlmeier, Johannes; Lehnherr, Dan; Coto, Pedro B.
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 17
  • DOI: 10.1073/pnas.1422436112

Ultrafast Singlet Fission in a Push–Pull Low-Bandgap Polymer Film
journal, December 2015

  • Kasai, Yukitomo; Tamai, Yasunari; Ohkita, Hideo
  • Journal of the American Chemical Society, Vol. 137, Issue 51
  • DOI: 10.1021/jacs.5b09361

A Silicon–Singlet Fission Tandem Solar Cell Exceeding 100% External Quantum Efficiency with High Spectral Stability
journal, January 2017


Singlet Fission
journal, November 2010

  • Smith, Millicent B.; Michl, Josef
  • Chemical Reviews, Vol. 110, Issue 11
  • DOI: 10.1021/cr1002613

Triplet Harvesting from Intramolecular Singlet Fission in Polytetracene
journal, September 2017

  • Pun, Andrew B.; Sanders, Samuel N.; Kumarasamy, Elango
  • Advanced Materials, Vol. 29, Issue 41
  • DOI: 10.1002/adma.201701416

Band-like temperature dependence of mobility in a solution-processed organic semiconductor
journal, August 2010

  • Sakanoue, Tomo; Sirringhaus, Henning
  • Nature Materials, Vol. 9, Issue 9
  • DOI: 10.1038/nmat2825

Quantum Beats in Crystalline Tetracene Delayed Fluorescence Due to Triplet Pair Coherences Produced by Direct Singlet Fission
journal, May 2012

  • Burdett, Jonathan J.; Bardeen, Christopher J.
  • Journal of the American Chemical Society, Vol. 134, Issue 20
  • DOI: 10.1021/ja301683w

External Quantum Efficiency Above 100% in a Singlet-Exciton-Fission-Based Organic Photovoltaic Cell
journal, April 2013


Cooperative singlet and triplet exciton transport in tetracene crystals visualized by ultrafast microscopy
journal, September 2015

  • Wan, Yan; Guo, Zhi; Zhu, Tong
  • Nature Chemistry, Vol. 7, Issue 10
  • DOI: 10.1038/nchem.2348

Enabling singlet fission by controlling intramolecular charge transfer in π-stacked covalent terrylenediimide dimers
journal, August 2016

  • Margulies, Eric A.; Miller, Claire E.; Wu, Yilei
  • Nature Chemistry, Vol. 8, Issue 12
  • DOI: 10.1038/nchem.2589

Resonant energy transfer of triplet excitons from pentacene to PbSe nanocrystals
journal, October 2014

  • Tabachnyk, Maxim; Ehrler, Bruno; Gélinas, Simon
  • Nature Materials, Vol. 13, Issue 11
  • DOI: 10.1038/nmat4093

Functionalized Pentacene:  Improved Electronic Properties from Control of Solid-State Order
journal, September 2001

  • Anthony, John E.; Brooks, James S.; Eaton, David L.
  • Journal of the American Chemical Society, Vol. 123, Issue 38
  • DOI: 10.1021/ja0162459

Vibronic exciton theory of singlet fission. I. Linear absorption and the anatomy of the correlated triplet pair state
journal, May 2017

  • Tempelaar, Roel; Reichman, David R.
  • The Journal of Chemical Physics, Vol. 146, Issue 17
  • DOI: 10.1063/1.4982362

A design strategy for intramolecular singlet fission mediated by charge-transfer states in donor–acceptor organic materials
journal, January 2015

  • Busby, Erik; Xia, Jianlong; Wu, Qin
  • Nature Materials, Vol. 14, Issue 4
  • DOI: 10.1038/nmat4175

Parameters Affecting Electron Injection Dynamics from Ruthenium Dyes to Titanium Dioxide Nanocrystalline Thin Film
journal, July 2003

  • Asbury, John B.; Anderson, Neil A.; Hao, Encai
  • The Journal of Physical Chemistry B, Vol. 107, Issue 30
  • DOI: 10.1021/jp034148r

Identification of a triplet pair intermediate in singlet exciton fission in solution
journal, June 2015

  • Stern, Hannah L.; Musser, Andrew J.; Gelinas, Simon
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 25
  • DOI: 10.1073/pnas.1503471112

Dynamics of molecular excitons near a semiconductor surface studied by fluorescence quenching of polycrystalline tetracene on silicon
journal, May 2014


Energy harvesting of non-emissive triplet excitons in tetracene by emissive PbS nanocrystals
journal, October 2014

  • Thompson, Nicholas J.; Wilson, Mark W. B.; Congreve, Daniel N.
  • Nature Materials, Vol. 13, Issue 11
  • DOI: 10.1038/nmat4097

Spectroscopic properties of electrochemically populated electronic states in nanostructured TiO2 films: anatase versus rutile
journal, January 2013

  • Berger, Thomas; Anta, Juan A.; Morales-Flórez, Víctor
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 33
  • DOI: 10.1039/c3cp52324a

Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran
journal, November 2012

  • Johnson, Justin C.; Akdag, Akin; Zamadar, Matibur
  • The Journal of Physical Chemistry B, Vol. 117, Issue 16
  • DOI: 10.1021/jp310979q

Multiple exciton generation in quantum dots versus singlet fission in molecular chromophores for solar photon conversion
journal, June 2015

  • Beard, Matthew C.; Johnson, Justin C.; Luther, Joseph M.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 373, Issue 2044
  • DOI: 10.1098/rsta.2014.0412

Solvent effects on the energetics of intermolecular charge-transfer reactions
journal, September 1990

  • O'Driscoll, Erin; Simon, John D.; Peters, Kevin S.
  • Journal of the American Chemical Society, Vol. 112, Issue 20
  • DOI: 10.1021/ja00176a002

The Role of Chromophore Coupling in Singlet Fission
journal, January 2013

  • Johnson, Justin C.; Nozik, Arthur J.; Michl, Josef
  • Accounts of Chemical Research, Vol. 46, Issue 6
  • DOI: 10.1021/ar300193r

Solution-Phase Singlet Fission in a Structurally Well-Defined Norbornyl-Bridged Tetracene Dimer
journal, June 2016

  • Cook, Jasper D.; Carey, Thomas J.; Damrauer, Niels H.
  • The Journal of Physical Chemistry A, Vol. 120, Issue 26
  • DOI: 10.1021/acs.jpca.6b04367

Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran
journal, May 2014

  • Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 23
  • DOI: 10.1021/jp502122d

Microscopic theory of singlet exciton fission. I. General formulation
journal, March 2013

  • Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R.
  • The Journal of Chemical Physics, Vol. 138, Issue 11
  • DOI: 10.1063/1.4794425

Singlet Exciton Fission-Sensitized Infrared Quantum Dot Solar Cells
journal, January 2012

  • Ehrler, Bruno; Wilson, Mark W. B.; Rao, Akshay
  • Nano Letters, Vol. 12, Issue 2
  • DOI: 10.1021/nl204297u

Tetracene Derivatives as Potential Red Emitters for Organic LEDs
journal, November 2003

  • Odom, Susan A.; Parkin, Sean R.; Anthony, John E.
  • Organic Letters, Vol. 5, Issue 23
  • DOI: 10.1021/ol035415e

Acceleration of Singlet Fission in an Aza-Derivative of TIPS-Pentacene
journal, June 2014

  • Herz, Julia; Buckup, Tiago; Paulus, Fabian
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 14
  • DOI: 10.1021/jz501102r

Parameters Influencing the Efficiency of Electron Injection in Dye-Sensitized Solar Cells
journal, April 2009

  • Koops, Sara E.; O’Regan, Brian C.; Barnes, Piers R. F.
  • Journal of the American Chemical Society, Vol. 131, Issue 13
  • DOI: 10.1021/ja8091278

Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange
journal, March 2013

  • Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R.
  • The Journal of Chemical Physics, Vol. 138, Issue 11
  • DOI: 10.1063/1.4794427

Quantitative Intramolecular Singlet Fission in Bipentacenes
journal, July 2015

  • Sanders, Samuel N.; Kumarasamy, Elango; Pun, Andrew B.
  • Journal of the American Chemical Society, Vol. 137, Issue 28
  • DOI: 10.1021/jacs.5b04986

A transferable model for singlet-fission kinetics
journal, May 2014

  • Yost, Shane R.; Lee, Jiye; Wilson, Mark W. B.
  • Nature Chemistry, Vol. 6, Issue 6
  • DOI: 10.1038/nchem.1945

Evidence for conical intersection dynamics mediating ultrafast singlet exciton fission
journal, March 2015

  • Musser, Andrew J.; Liebel, Matz; Schnedermann, Christoph
  • Nature Physics, Vol. 11, Issue 4
  • DOI: 10.1038/nphys3241