Design Criteria for Organic Charge Transporting Materials through Computational Modeling
EMSL Project ID
19824
Abstract
ABSTRACTWe propose to use EMSL computational facilities for developing predictive models which will guide the design of new organic charge transporting materials for thin film energy conversion applications. Designing new materials for solar cell collectors and advanced 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 state 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
Large-Scale EMSL Research
Start Date
2006-07-21
End Date
2009-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members