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Design Criteria for Organic Charge Transporting Materials through Computational Modeling


EMSL Project ID
19824

Abstract

ABSTRACT
We 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

Team

Principal Investigator

Linda Sapochak
Institution
Pacific Northwest National Laboratory

Team Members

Niranjan Govind
Institution
Pacific Northwest National Laboratory

Asanga Padmaperuma
Institution
Pacific Northwest National Laboratory

Paul Burrows
Institution
Pacific Northwest National Laboratory

Marat Valiev
Institution
Environmental Molecular Sciences Laboratory