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:: Wed Jan 02 00:00:00 EST 2019

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

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP 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},

  number       = 2,

  volume       = 21,

  place        = {United Kingdom},

  year         = {Wed Jan 02 00:00:00 EST 2019},

  month        = {Wed Jan 02 00:00:00 EST 2019}

}

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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

Developments in the chemistry and band gap engineering of donor–acceptor substituted conjugated polymers journal, February 2001

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

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Conjugated and Nonconjugated Substitution Effect on Photovoltaic Properties of Benzodifuran-Based Photovoltaic Polymers journal, August 2012

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

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Polyconjugated Polymers from Anodic Coupling of Dipyrrolyl−Ethylenes, −Arylenes, and −Heteroarylenes. Narrow Potential Windows of Conductivity by Alternation of Electron-Rich and Electron-Poor Units journal, December 1997

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Theoretical Study on the Correlation between Band Gap, Bandwidth, and Oscillator Strength in Fluorene-Based Donor−Acceptor Conjugated Copolymers journal, June 2009

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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
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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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Conjugated and Nonconjugated Substitution Effect on Photovoltaic Properties of Benzodifuran-Based Photovoltaic Polymers
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