DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Revealing weak spin-orbit coupling effects on charge carriers in a π -conjugated polymer

; ; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 16; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Malissa, H., Miller, R., Baird, D. L., Jamali, S., Joshi, G., Bursch, M., Grimme, S., van Tol, J., Lupton, J. M., and Boehme, C. Revealing weak spin-orbit coupling effects on charge carriers in a π -conjugated polymer. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.161201.
Malissa, H., Miller, R., Baird, D. L., Jamali, S., Joshi, G., Bursch, M., Grimme, S., van Tol, J., Lupton, J. M., & Boehme, C. Revealing weak spin-orbit coupling effects on charge carriers in a π -conjugated polymer. United States.
Malissa, H., Miller, R., Baird, D. L., Jamali, S., Joshi, G., Bursch, M., Grimme, S., van Tol, J., Lupton, J. M., and Boehme, C. Mon . "Revealing weak spin-orbit coupling effects on charge carriers in a π -conjugated polymer". United States.
title = {Revealing weak spin-orbit coupling effects on charge carriers in a π -conjugated polymer},
author = {Malissa, H. and Miller, R. and Baird, D. L. and Jamali, S. and Joshi, G. and Bursch, M. and Grimme, S. and van Tol, J. and Lupton, J. M. and Boehme, C.},
abstractNote = {},
doi = {10.1103/PhysRevB.97.161201},
journal = {Physical Review B},
number = 16,
volume = 97,
place = {United States},
year = {2018},
month = {4}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

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

Save / Share:

Works referenced in this record:

Synthesis and properties of air-stable n-channel semiconductors based on MEH-PPV derivatives containing benzo[c]cinnoline moieties
journal, January 2014

  • Chen, Jyh-Chien; Wu, Hsin-Chung; Chiang, Chi-Jui
  • J. Mater. Chem. C, Vol. 2, Issue 24
  • DOI: 10.1039/C3TC32505A

Magnetoresistance in organic semiconductors
journal, August 2008

  • Lupton, John M.; Boehme, Christoph
  • Nature Materials, Vol. 7, Issue 8
  • DOI: 10.1038/nmat2248

Electronic structure of positive and negative polarons in functionalized dithienylthiazolo[5,4-d]thiazoles: a combined EPR and DFT study
journal, January 2014

  • Ling, Yun; Van Mierloo, Sarah; Schnegg, Alexander
  • Physical Chemistry Chemical Physics, Vol. 16, Issue 21
  • DOI: 10.1039/c3cp54635g

A quasioptical transient electron spin resonance spectrometer operating at 120 and 240 GHz
journal, July 2005

  • van Tol, J.; Brunel, L. -C.; Wylde, R. J.
  • Review of Scientific Instruments, Vol. 76, Issue 7
  • DOI: 10.1063/1.1942533

Investigating the influence of traps on organic magnetoresistance by molecular doping
journal, February 2014

The ORCA program system: The ORCA program system
journal, June 2011

  • Neese, Frank
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 1
  • DOI: 10.1002/wcms.81

Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes
journal, November 2016

  • Ratzke, Wolfram; Schmitt, Lisa; Matsuoka, Hideto
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 22
  • DOI: 10.1021/acs.jpclett.6b01907

Robust absolute magnetometry with organic thin-film devices
journal, January 2012

  • Baker, W. J.; Ambal, K.; Waters, D. P.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1895

Spin Rabi flopping in the photocurrent of a polymer light-emitting diode
journal, August 2008

  • McCamey, D. R.; Seipel, H. A.; Paik, S. -Y.
  • Nature Materials, Vol. 7, Issue 9
  • DOI: 10.1038/nmat2252

Spin-Orbit Coupling, Spin Relaxation, and Spin Diffusion in Organic Solids
journal, March 2011

Spin‐Orbit Interaction in Aromatic Molecules
journal, April 1952

  • McClure, Donald S.
  • The Journal of Chemical Physics, Vol. 20, Issue 4
  • DOI: 10.1063/1.1700516

Spin-orbit coupling in singly charged π -conjugated polymers
journal, April 2009

Room-temperature coupling between electrical current and nuclear spins in OLEDs
journal, September 2014

Inverse spin Hall effect from pulsed spin current in organic semiconductors with tunable spin–orbit coupling
journal, April 2016

  • Sun, Dali; van Schooten, Kipp J.; Kavand, Marzieh
  • Nature Materials, Vol. 15, Issue 8
  • DOI: 10.1038/nmat4618

Combined multifrequency EPR and DFT study of dangling bonds in a -Si:H
journal, December 2011

Spin-orbit interactions between interchain excitations in conjugated polymers
journal, January 2010

Magnetic Field Effects Due to the Δ g Mechanism upon Chemical Reactions through Radical Pairs under Ultrahigh Fields of up to 30 T
journal, October 1999

  • Wakasa, Masanobu; Nishizawa, Kiyoshi; Abe, Haruo
  • Journal of the American Chemical Society, Vol. 121, Issue 39
  • DOI: 10.1021/ja9912776

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

  • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

Microscopic modeling of magnetic-field effects on charge transport in organic semiconductors
journal, August 2011

Modulation frequency dependence of continuous-wave optically/electrically detected magnetic resonance
journal, September 2012

Spectroscopic evidence for trap-dominated magnetic field effects in organic semiconductors
journal, October 2014

Effect of the damping function in dispersion corrected density functional theory
journal, March 2011

  • Grimme, Stefan; Ehrlich, Stephan; Goerigk, Lars
  • Journal of Computational Chemistry, Vol. 32, Issue 7
  • DOI: 10.1002/jcc.21759

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005

  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

Solution-processed organic spin–charge converter
journal, May 2013

  • Ando, Kazuya; Watanabe, Shun; Mooser, Sebastian
  • Nature Materials, Vol. 12, Issue 7
  • DOI: 10.1038/nmat3634

journal, July 2013

  • Furche, Filipp; Ahlrichs, Reinhart; Hättig, Christof
  • Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Issue 2
  • DOI: 10.1002/wcms.1162

Magnetic Field Effects on Photochemical Reactions in Ionic Liquids with Short Alkyl Chains
journal, October 2011

  • Yago, Tomoaki; Hamasaki, Atom; Tanaka, Miyuki
  • The Journal of Physical Chemistry C, Vol. 115, Issue 43
  • DOI: 10.1021/jp207816t

Highly efficient organic light-emitting diodes from delayed fluorescence
journal, December 2012

  • Uoyama, Hiroki; Goushi, Kenichi; Shizu, Katsuyuki
  • Nature, Vol. 492, Issue 7428
  • DOI: 10.1038/nature11687

Spin-dependent processes at the crystalline Si-SiO 2 interface at high magnetic fields
journal, July 2008

Tuning the effective spin-orbit coupling in molecular semiconductors
journal, May 2017

  • Schott, Sam; McNellis, Erik R.; Nielsen, Christian B.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15200

Spin Hall Effect in Disordered Organic Solids
journal, July 2015

Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic molecules
journal, January 2007

  • Grimme, Stefan; Antony, Jens; Schwabe, Tobias
  • Org. Biomol. Chem., Vol. 5, Issue 5
  • DOI: 10.1039/B615319B

Quantitative inverse spin Hall effect detection via precise control of the driving-field amplitude
journal, April 2017

Measurement of g Values in the Electron Spin Resonance Spectra of Free Radicals
journal, December 1965

  • Segal, Bernice G.; Kaplan, Michael; Fraenkel, George K.
  • The Journal of Chemical Physics, Vol. 43, Issue 12
  • DOI: 10.1063/1.1696676

Dispersion-Corrected Mean-Field Electronic Structure Methods
journal, April 2016

The spin-Dicke effect in OLED magnetoresistance
journal, September 2015

  • Waters, D. P.; Joshi, G.; Kavand, M.
  • Nature Physics, Vol. 11, Issue 11
  • DOI: 10.1038/nphys3453

Spin−Orbit Coupling and Intersystem Crossing in Conjugated Polymers:  A Configuration Interaction Description
journal, April 2001

  • Beljonne, D.; Shuai, Z.; Pourtois, G.
  • The Journal of Physical Chemistry A, Vol. 105, Issue 15
  • DOI: 10.1021/jp010187w

Importance of Spin-Orbit Interaction for the Electron Spin Relaxation in Organic Semiconductors
journal, May 2013

Morphology effects on spin-dependent transport and recombination in polyfluorene thin films
journal, December 2016

Curvature-enhanced Spin-orbit Coupling and Spinterface Effect in Fullerene-based Spin Valves
journal, January 2016

  • Liang, Shiheng; Geng, Rugang; Yang, Baishun
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep19461

Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
journal, December 2003

  • Staroverov, Viktor N.; Scuseria, Gustavo E.; Tao, Jianmin
  • The Journal of Chemical Physics, Vol. 119, Issue 23
  • DOI: 10.1063/1.1626543

Density Functional Calculations of Electronic g-Tensors for Semiquinone Radical Anions. The Role of Hydrogen Bonding and Substituent Effects
journal, March 2002

  • Kaupp, Martin; Remenyi, Christian; Vaara, Juha
  • Journal of the American Chemical Society, Vol. 124, Issue 11
  • DOI: 10.1021/ja0162764

EasySpin, a comprehensive software package for spectral simulation and analysis in EPR
journal, January 2006

Double-Channel Contact Recombination of Radical Pairs Subjected to Spin Conversion via the Δ g Mechanism
journal, March 2006

  • Gladkikh, V. S.; Burshtein, A. I.
  • The Journal of Physical Chemistry A, Vol. 110, Issue 10
  • DOI: 10.1021/jp0550107

Spin-orbit coupling and its effects in organic solids
journal, March 2012

Probing long-range carrier-pair spin–spin interactions in a conjugated polymer by detuning of electrically detected spin beating
journal, April 2015

  • van Schooten, Kipp J.; Baird, Douglas L.; Limes, Mark E.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms7688

Polaron Motional Narrowing of Electron Spin Resonance in Organic Field-Effect Transistors
journal, March 2008