DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers

DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers

Conjugated polymers are promising materials for various cutting-edge technologies, especially for organic conducting materials and in the energy field. In this work, we have synthesized a new conjugated polymer and investigated the effect of distance between bond layers, side-chain functional groups...

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Bibliographic Details
Main Authors: Quoc-Trung Vu, Thi-Thuy-Duong Tran, Thuy-Chinh Nguyen, Thien Vuong Nguyen, Hien Nguyen, Pham Van Vinh, Dung Nguyen-Trong, Nguyen Dinh Duc, Phuong Nguyen-Tri
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Polymers
Subjects:
conjugated polymers
density functional theory
bond length
transition temperatures
Online Access:https://www.mdpi.com/2073-4360/12/6/1207

Internet

https://www.mdpi.com/2073-4360/12/6/1207

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