Prediction of Excitation Energies for Conjugated Oligomers and Polymers from Time-Dependent Density Functional Theory

Prediction of Excitation Energies for Conjugated Oligomers and Polymers from Time-Dependent Density Functional Theory

With technological advances, light-emitting conjugated oligomers and polymers have become competitive candidates in the commercial market of light-emitting diodes for display and other technologies, due to the ultralow cost, light weight, and flexibility. Prediction of excitation energies of these s...

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Bibliographic Details
Main Authors: Jianmin Tao, Sergei Tretiak, Jian-Xin Zhu
Format: Article
Language:English
Published: MDPI AG 2010-05-01
Series:Materials
Subjects:
time-dependent density functional theory
excitation energy
optical absorption
light-emitting conjugated oligomers
Online Access:http://www.mdpi.com/1996-1944/3/5/3430/

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http://www.mdpi.com/1996-1944/3/5/3430/

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