Theory of Charge Transport in Carbon Electronic Materials

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Technology, Material Science
Cover of the book Theory of Charge Transport in Carbon Electronic Materials by Chenchen Song, Zhigang Shuai, Linjun Wang, Springer Berlin Heidelberg
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Author: Chenchen Song, Zhigang Shuai, Linjun Wang ISBN: 9783642250767
Publisher: Springer Berlin Heidelberg Publication: January 5, 2012
Imprint: Springer Language: English
Author: Chenchen Song, Zhigang Shuai, Linjun Wang
ISBN: 9783642250767
Publisher: Springer Berlin Heidelberg
Publication: January 5, 2012
Imprint: Springer
Language: English

Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality.

This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.

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Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality.

This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.

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