Electronic Structure of Heterocyclic Ring Chain Polymers

G. Brocks; A.E.M. Tol; Arie Tol

doi:10.1016/S0379-6779(98)01416-7

Electronic Structure of Heterocyclic Ring Chain Polymers

G. Brocks, A.E.M. Tol, Arie Tol

Research output: Contribution to journal › Article › Academic › peer-review

13 Citations (Scopus)

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Abstract

The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.

Original language	Undefined
Pages (from-to)	516-517
Number of pages	2
Journal	Synthetic metals
Volume	1999
Issue number	101
DOIs	https://doi.org/10.1016/S0379-6779(98)01416-7
Publication status	Published - 1999

Keywords

Polypyrrole and derivatives
Polythiophene and derivatives
IR-74192
Local density approximations
METIS-128728
Density functional calculations

Access to Document

10.1016/S0379-6779(98)01416-7

Cite this

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title = "Electronic Structure of Heterocyclic Ring Chain Polymers",

abstract = "The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.",

keywords = "Polypyrrole and derivatives, Polythiophene and derivatives, IR-74192, Local density approximations, METIS-128728, Density functional calculations",

author = "G. Brocks and A.E.M. Tol and Arie Tol",

year = "1999",

doi = "10.1016/S0379-6779(98)01416-7",

language = "Undefined",

volume = "1999",

pages = "516--517",

journal = "Synthetic metals",

issn = "0379-6779",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Electronic Structure of Heterocyclic Ring Chain Polymers

AU - Brocks, G.

AU - Tol, A.E.M.

AU - Tol, Arie

PY - 1999

Y1 - 1999

N2 - The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.

AB - The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.

KW - Polypyrrole and derivatives

KW - Polythiophene and derivatives

KW - IR-74192

KW - Local density approximations

KW - METIS-128728

KW - Density functional calculations

U2 - 10.1016/S0379-6779(98)01416-7

DO - 10.1016/S0379-6779(98)01416-7

M3 - Article

SN - 0379-6779

VL - 1999

SP - 516

EP - 517

JO - Synthetic metals

JF - Synthetic metals

IS - 101

ER -