Theory of Charge Transport in Carbon Electronic Materials

  • Zhigang Shuai
  • Linjun Wang
  • Chenchen Song

Part of the SpringerBriefs in Molecular Science book series (BRIEFSMOLECULAR)

Table of contents

  1. Front Matter
    Pages i-ix
  2. Zhigang Shuai, Linjun Wang, Chenchen Song
    Pages 1-5
  3. Zhigang Shuai, Linjun Wang, Chenchen Song
    Pages 7-41
  4. Zhigang Shuai, Linjun Wang, Chenchen Song
    Pages 43-66
  5. Zhigang Shuai, Linjun Wang, Chenchen Song
    Pages 67-88
  6. Zhigang Shuai, Linjun Wang, Chenchen Song
    Pages 89-90

About this book

Introduction

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.

Keywords

Holstein-Peierls model carbon electronics materials charge mobility deformation potential theory first-principles calculation hopping mechanism organic electroncis

Authors and affiliations

  • Zhigang Shuai
    • 1
  • Linjun Wang
    • 2
  • Chenchen Song
    • 3
  1. 1., Department of ChemistryTsinghua UniversityBeijingChina, People's Republic
  2. 2., Service de Chimie des Matériaux NouveauxUniversity of MonsMonsBelgium
  3. 3., Department of ChemistryTsinghua UniversityBeijingChina, People's Republic

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-25076-7
  • Copyright Information The Author(s) 2012
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-3-642-25075-0
  • Online ISBN 978-3-642-25076-7
  • Series Print ISSN 2191-5407
  • Series Online ISSN 2191-5415
  • About this book