Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors

Author:

Harrelson Thomas F.123ORCID,Dantanarayana Varuni423,Xie Xiaoyu567,Koshnick Correy823,Nai Dingqi123ORCID,Fair Ryan93,Nuñez Sean A.103,Thomas Alan K.11123,Murrey Tucker L.823ORCID,Hickner Michael A.103,Grey John K.11123ORCID,Anthony John E.1314153ORCID,Gomez Enrique D.93ORCID,Troisi Alessandro567ORCID,Faller Roland123ORCID,Moulé Adam J.12342ORCID

Affiliation:

1. Department of Chemical Engineering, University of California

2. Davis

3. USA

4. Department of Chemistry, University of California

5. Department of Chemistry, University of Liverpool

6. Liverpool

7. UK

8. Department of Materials Science and Engineering, University of California

9. Department of Chemical Engineering, Pennsylvania State University, University Park

10. Department of Materials Science and Engineering, Pennsylvania State University, University Park

11. Department of Chemistry & Chemical Biology, University of New Mexico

12. Albuquerque

13. Department of Chemistry

14. University of Kentucky

15. Lexington

Abstract

The charge mobility of organic semiconductors are accurately predicted using first principles simulations validated by inelastic neutron scattering experiments.

Funder

Engineering and Physical Sciences Research Council

Office of Science

Division of Materials Research

Basic Energy Sciences

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Electrical and Electronic Engineering,Process Chemistry and Technology,Mechanics of Materials,General Materials Science

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