Understanding Charge Separation and Transfer at Interfaces in Energy Materials (EFRC:CST)


Paul Barbara (8/2009 - 10/2010); Xiaoyang Zhu (11/2010 - 5/2012); Peter Rossky (6/2012 - 7/2014)

Lead Institution:

University of Texas at Austin




To pursue fundamental research on charge transfer processes that underpin the function of highly promising molecular materials for photovoltaic and electrical energy storage applications.

Research Topics:

solar (photovoltaic), phonons, energy storage (including batteries and capacitors), defects, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Materials Studied:

MATERIALS: semiconductor, organic semiconductor, metal, oxide, polymer, optoelectronic and metamaterial
INTERFACES: organic/semiconductor, organic/oxide, organic/organic, organic/metal, semiconductor/semiconductor, liquid/solid, solid/solid
NANOSTRUCTURED MATERIALS: 0D, 1D, 2D, 3D, nanocomposites

Experimental and Theoretical Methods:

X-ray spectroscopy, electron microscopy, scanning probe microscopy, surface science, ultrafast physics, molecular dynamics (MD), density functional theory (DFT), monte carlo (MC), quantum mechanics, mesoscale modeling, finite element method, multiscale modeling

Map of institutions in EFRC

Partner Institutions:

  • University of California, San Diego
  • University of Minnesota
  • Sandia National Laboratories
  • University of Texas at Austin






BES Staff Contact:

Jeffrey L. Krause