OPV: First Principles Studies of the Electronic Structure of Organic Solids and Interfaces

By Sahar Sharifzadeh

Lawrence Berkeley National Laboratory

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This presentation was part of the "Organic Photovoltaics: Experiment and Theory" workshop at the 2010 Users' Meeting of the Molecular Foundry and the National Center for Electron Microscopy, both DOE-funded Research Centers at Lawrence Berkeley National Laboratory.


Dr. Sharifzadeh is currently working in the Theory Facility of the Molecular Foundry under the supervision of Jeffrey Neaton. Her research interests are focused on obtaining an accurate description of the electronic structure of solid-state materials from first principles. Her research projects at the Molecular Foundry are centered on the study of organic semiconductors that are relevant for photovoltaics technology. She is studying the excited state energetics of these materials in the gas-phase, bulk crystalline phase, and at interfaces with density functional theory and many-body perturbation theory (GW/BSE).

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Researchers should cite this work as follows:

  • Sahar Sharifzadeh (2011), "OPV: First Principles Studies of the Electronic Structure of Organic Solids and Interfaces," https://nanohub.org/resources/10488.

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Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA


Eric Isaacs1, Jeffrey B. Neaton2

1. Lawrence Berkeley National Laboratory 2. University of California - Berkeley