Design principles for the energy level tuning in donor/acceptor conjugated polymers

Hashemi, Daniel; Ma, Xiao; Ansari, Ramin; Kim, Jinsang; Kieffer, John

doi:10.1039/C8CP03341B

Title: Design principles for the energy level tuning in donor/acceptor conjugated polymers

Abstract

Illustration of the charge transfer associated with the development of HOMO and LUMO levels in conjugated polymers and that the electron donating and withdrawing powers depend on the collective of atoms that carry the frontier orbitals involved in the charge transfer process.

Authors:

^[1]; Ma, Xiao ^[1]; Ansari, Ramin ^[1]; Kim, Jinsang ^[1];

^[1]

Department of Materials Science and Engineering, University of Michigan, Ann Arbor, USA

Publication Date:: 2019-01-02

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1487167

Grant/Contract Number:: SC0000957

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Chemistry Chemical Physics. PCCP (Print)

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 2; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Hashemi, Daniel, Ma, Xiao, Ansari, Ramin, Kim, Jinsang, and Kieffer, John. Design principles for the energy level tuning in donor/acceptor conjugated polymers.  United Kingdom: N. p., 2019. 
Web.  doi:10.1039/C8CP03341B.

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                    Hashemi, Daniel, Ma, Xiao, Ansari, Ramin, Kim, Jinsang, & Kieffer, John. Design principles for the energy level tuning in donor/acceptor conjugated polymers.  United Kingdom.  https://doi.org/10.1039/C8CP03341B

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                    Hashemi, Daniel, Ma, Xiao, Ansari, Ramin, Kim, Jinsang, and Kieffer, John. Wed .  
"Design principles for the energy level tuning in donor/acceptor conjugated polymers".  United Kingdom.  https://doi.org/10.1039/C8CP03341B.

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@article{osti_1487167,

  title        = {Design principles for the energy level tuning in donor/acceptor conjugated polymers},

  author       = {Hashemi, Daniel and Ma, Xiao and Ansari, Ramin and Kim, Jinsang and Kieffer, John},

  abstractNote = {Illustration of the charge transfer associated with the development of HOMO and LUMO levels in conjugated polymers and that the electron donating and withdrawing powers depend on the collective of atoms that carry the frontier orbitals involved in the charge transfer process.},

  doi          = {10.1039/C8CP03341B},

  journal      = {Physical Chemistry Chemical Physics. PCCP (Print)},

  number       = 2,

  volume       = 21,

  place        = {United Kingdom},

  year         = {2019},

  month        = {1}

}

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Similar Records

Title: Design principles for the energy level tuning in donor/acceptor conjugated polymers

Abstract

Citation Formats

Unique optical and electrochemical properties of π-conjugated electrically conducting copolymers consisting of electron-withdrawing pyridine units and electron-donating thiophene units journal, January 1991

Molecular designing and DFT investigation of novel alternating donor–acceptor dibenzo[b,d]thiophen-based systems: from monomer to polymer journal, August 2011

Noncovalent Intramolecular Interactions in the Monomers and Oligomers of the Acceptor and Donor Type of Low Band Gap Conducting Polymers journal, November 2007

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Criteria for the Construction of Good Self‐Consistent‐Field Molecular Orbital Wave Functions, and the Significance of LCAO‐MO Population Analysis journal, June 1962

Comparison of DFT Methods for Molecular Orbital Eigenvalue Calculations journal, March 2007

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α-Oligofurans: Molecules without a Twist journal, June 2010

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Optical Bandgaps of π-Conjugated Organic Materials at the Polymer Limit: Experiment and Theory journal, January 2007

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Donor–acceptor type low band gap polymers: polysquaraines and related systems journal, January 2003

Single chain spectroscopy of conformational dependence of conjugated polymer photophysics journal, October 2000

Unique optical and electrochemical properties of π-conjugated electrically conducting copolymers consisting of electron-withdrawing pyridine units and electron-donating thiophene units
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Molecular designing and DFT investigation of novel alternating donor–acceptor dibenzo[b,d]thiophen-based systems: from monomer to polymer
journal, August 2011

Noncovalent Intramolecular Interactions in the Monomers and Oligomers of the Acceptor and Donor Type of Low Band Gap Conducting Polymers
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Developments in the chemistry and band gap engineering of donor–acceptor substituted conjugated polymers
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Criteria for the Construction of Good Self‐Consistent‐Field Molecular Orbital Wave Functions, and the Significance of LCAO‐MO Population Analysis
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Comparison of DFT Methods for Molecular Orbital Eigenvalue Calculations
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