Structural studies of polypyrroles II. A Monte Carlo growth approach to the branch formation

Ersin Yurtsever; Okan Esentürk; H. Önder Pamuk; Mine Yurtsever

doi:10.1016/S0379-6779(98)00196-9

Structural studies of polypyrroles II. A Monte Carlo growth approach to the branch formation

Ersin Yurtsever^*
, Okan Esentürk
, H. Önder Pamuk
, Mine Yurtsever

^*Corresponding author for this work

Department of Chemistry

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

22 Citations (Scopus)

Abstract

A simulation technique which is based on quantum mechanically generated probability distributions of αα, αβ and ββ type linkages in polypyrroles is presented and applied for a statistical analysis of the growth process. The results show that the branching occur even at very short chains. The extent of the branching does not depend on the chain length and it is a slowly varying function of the temperature. At room temperatures, 20-25% deviations from the linearity is observed which is consistent with the experimental observations.

Original language	English
Pages (from-to)	229-236
Number of pages	8
Journal	Synthetic Metals
Volume	98
Issue number	3
DOIs	https://doi.org/10.1016/S0379-6779(98)00196-9
Publication status	Published - 1 Jan 1999

Keywords

Branch formation
Monte Carlo
Polypyrroles

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10.1016/S0379-6779(98)00196-9

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title = "Structural studies of polypyrroles II. A Monte Carlo growth approach to the branch formation",

abstract = "A simulation technique which is based on quantum mechanically generated probability distributions of αα, αβ and ββ type linkages in polypyrroles is presented and applied for a statistical analysis of the growth process. The results show that the branching occur even at very short chains. The extent of the branching does not depend on the chain length and it is a slowly varying function of the temperature. At room temperatures, 20-25\% deviations from the linearity is observed which is consistent with the experimental observations.",

keywords = "Branch formation, Monte Carlo, Polypyrroles",

author = "Ersin Yurtsever and Okan Esent{\"u}rk and \{{\"O}nder Pamuk\}, H. and Mine Yurtsever",

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AU - Yurtsever, Ersin

AU - Esentürk, Okan

AU - Önder Pamuk, H.

AU - Yurtsever, Mine

PY - 1999/1/1

Y1 - 1999/1/1

N2 - A simulation technique which is based on quantum mechanically generated probability distributions of αα, αβ and ββ type linkages in polypyrroles is presented and applied for a statistical analysis of the growth process. The results show that the branching occur even at very short chains. The extent of the branching does not depend on the chain length and it is a slowly varying function of the temperature. At room temperatures, 20-25% deviations from the linearity is observed which is consistent with the experimental observations.

AB - A simulation technique which is based on quantum mechanically generated probability distributions of αα, αβ and ββ type linkages in polypyrroles is presented and applied for a statistical analysis of the growth process. The results show that the branching occur even at very short chains. The extent of the branching does not depend on the chain length and it is a slowly varying function of the temperature. At room temperatures, 20-25% deviations from the linearity is observed which is consistent with the experimental observations.

KW - Branch formation

KW - Monte Carlo

KW - Polypyrroles

UR - https://www.scopus.com/pages/publications/0032712925

U2 - 10.1016/S0379-6779(98)00196-9

DO - 10.1016/S0379-6779(98)00196-9

M3 - Article

AN - SCOPUS:0032712925

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VL - 98

SP - 229

EP - 236

JO - Synthetic Metals

JF - Synthetic Metals

IS - 3

ER -

Structural studies of polypyrroles II. A Monte Carlo growth approach to the branch formation

Abstract

Keywords

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