Characterization of the structural, mechanical, and electronic properties of fullerene mixtures: a molecular simulations description

Abstract

We investigate mixtures of fullerenes and fullerene derivatives, the most commonly used electron accepting materials in organic solar cells, by using a combination of molecular dynamics and density functional theory methods.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2018
Source ID
10.1039/c7tc03820h

Entities

People

  • Jean-Luc BrĂ©das
  • Naga Rajesh Tummala
  • Saadullah G Aziz
  • Veaceslav Coropceanu

Organizations

  • Georgia Tech
  • King Abdulaziz University
  • Office of Naval Research
  • Yusuf Hamied Department of Chemistry

Tags

Readers

  • Computational Fluid Dynamics (CFD)
  • Polymer Science and Technology
  • Solar Photovoltaics and Thermoelectric Devices.

Technology Areas

  • Microelectronics