A MULTI-SCALE THEORETICAL DESCRIPTION OF STRUCTURE-PROPERTIES RELATIONSHIPS IN ORGANIC SOLAR CELLS.
Abstract
The Georgia Institute of Technology proposes a three-year multi-scale computational researchproject, to be carried out in strong collaboration with experimental groups both within andoutside Georgia Tech, in order to advance significantly our understanding of how chemicalstructure and molecular-scale packing impact the electronic and optical processes taking placeduring operation of an organic photovoltaic device. In this program, the Bredas group will: (i)develop a multi-scale description of morphologies and interfacial electronic structure in allpolymersolar cells, which are increasingly being investigated as alternatives to polymerfullerenesolar cells and now feature power conversion efficiencies over 8%; (ii) provide a betterunderstanding of the factors limiting open-circuit voltage by establishing detailed relationshipsamong chemical structure, molecular packing, and nonradiative recombination rates, which willhelp determine how to prevent nonradiative recombination in both the singlet and tripletmanifolds; and (iii) establish the role of dynamical effects, electronic-state mixing, andcoherence effects in the charge-separation process.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Feb 03, 2017
- Source ID
- N000141712208
Entities
People
- Jean-Luc Brédas
Organizations
- Georgia Tech Research Corporation
- Office of Naval Research
- United States Navy