Fine-Tuning Ambipolar Charge-Transport Properties of Organic Materials By Computational Design
EMSL Project ID
30795
Abstract
We propose to use EMSL computational facilities for developing predictive models which will guide the design of new ambipolar organic charge transporting materials. Designing new materials for flat-panel large-area lighting technologies requires fundamental understanding of molecular electronic and structural properties and how these properties change in different environments and in the solid state. We are proposing to use EMSL computational facilities in support of our currently funded DOE EERE solid -lighting program. The proposed research will advance technological innovation through computational resources and is directly related to the EMSL Science Theme: Science and Interfacial Phenomena -designed materials systems with specialized transport properties. The work described is not proprietary and will be disseminated in the open literature with EMSL acknowledgement as appropriate.
Project Details
Project type
Exploratory Research
Start Date
2008-09-01
End Date
2009-09-06
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members