Troisi, Alessandro (2007) Prediction of the absolute charge mobility of molecular semiconductors: the case of rubrene. Advanced Materials, Vol.19 (No.15). pp. 2000-2004. doi:10.1002/adma.200700550 ISSN 0935-9648.

Research output not available from this repository.

Request-a-Copy directly from author or use local Library Get it For Me service.

Request Changes to record.

Abstract

The absolute value of the hole mobility, computed for the case of rubrene without adjustable parameters (see figure), is in excellent agreement with experiments. The diffusion of the hole is limited by thermal fluctuations of the intermolecular coupling. The system parameters are computed using a combination of classical molecular-dynamics simulations and quantum chemical methods. The effect of intramolecular reorganization energy is included in the model.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry T Technology T Technology > TA Engineering (General). Civil engineering (General) Q Science > QC Physics
Divisions:	Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Centre for Scientific Computing
Journal or Publication Title:	Advanced Materials
Publisher:	Wiley - V C H Verlag GmbH & Co. KGaA
ISSN:	0935-9648
Official Date:	3 August 2007
Dates:	Date Event 3 August 2007 Published
Volume:	Vol.19
Number:	No.15
Number of Pages:	5
Page Range:	pp. 2000-2004
DOI:	10.1002/adma.200700550
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access

Data sourced from Thomson Reuters' Web of Knowledge

Request changes or add full text files to a record

Repository staff actions (login required)

View Item