Computational Analysis of Energy Pooling to Harvest Low-Energy Solar Energy in Organic Photovoltaic Devices

Michael LaCount; Benjamin Bloom; Benjamin Bloom; Benjamin Bloom; Benjamin Bloom; Benjamin Bloom; Benjamin Bloom

Computational Analysis of Energy Pooling to Harvest Low-Energy Solar Energy in Organic Photovoltaic Devices

ORAL

Abstract

Current photovoltaic energy conversions do not typically utilize low energy sunlight absorption, leaving large sections of the solar spectrum untapped. It is possible, though, to absorb such radiation, generating low-energy excitons, and then pool them to create higher energy excitons, which can result in an increase in efficiency. Calculation of the rates at which such upconversion processes occur requires an accounting of all possible molecular quantum electrodynamics (QED) pathways. There are two paths associated with the upconversion. The cooperative mechanism involves a three-body interaction in which low energy excitons are transferred sequentially onto an acceptor molecule. The accretive pathway, requires that an exciton transfer its energy to a second exciton that subsequently transfers its energy to the acceptor molecule. We have computationally modeled both types of molecular QED obtaining rates using a combination of DFT and many-body Green function theory. The simulation platform is exercised by considering upconversion events associated with material composed of a high energy absorbing core of hexabenzocoronene (HBC) and low energy absorbing arms of oligothiophene. In addition, we make estimates for all competing processes in order to judge the relative efficiencies of these two processes.

Oct. 19, 2013, 1:39 PM – Oct. 19, 2013, 1:51 PM

Authors

Michael LaCount

Colorado School of Mines
Benjamin Bloom

Department of Physics, University of Arizona, Tucson, AZ, National Institute for Materials Science, Tsukuba, Japan, The University of Electro-Communications, Tokyo, Langmuir Laboratory, New Mexico Tech, The University of Arizona, Brigham Young University, Department of Physics Colorado State University, Colorado School of Mines, National Renewable Energy Laboratory, University of Colorado Boulder, Principal Investigator, Graduate Student, Colorado State University, SSRL, SLAC, Department of Chemistry and Biochemistry, Brigham Young University, Department of Physics and Astronomy, Brigham Young University, National Tsing Hua University, Hsinchu, Taiwan, Colorado State Univ, JILA, University of Colorado at Boulder, NIST, JILA, University of Colorado at Boulder, Heinrich-Heine-Universitat, Department of Physics, University of Colorado Denver, Denver, CO 80217, Biomedical Engineering, University of Texas at Austin, Austin, TX, The University Centre in Svalbard, Utah State University, Utah Valley University, New Mexico State University, The George Washington University Nuclear Physics Research Group, Institute for Nuclear Physics at the Johannes Gutenberg University of Mainz, None, Colorado State Engineering Research Center, St. Petersburg Electrotechnical University in Saint Petersburg, Russia, University of California San Diego, Argonne National Laboratory, Los Alamos National Laboratory, Imperial College London, Space Dynamics Lab, Utah State University, Physics and CASS, Utah State University, Department of Chemistry, Colorado State University, Fort Collins, CO 80523, Department of Physics, Colorado State University, Fort Collins, CO 80523, Dept. of Electrical, Computer, and Energy Engineering, University of Colorado at Boulder, Dept. of Physics and Astronomy, University of Denver, CU Boulder, RASEI, NREL, University of Colorado, Rutgers, UTK, Joint Institute for Heavy Ion Research \& ORNL, University of Guelph, Insitituto de Estructura de la Materia, University of Toronto, INFN Laboratori Nazionali del Sud, University of York, University of Surrey, TRIUMF, Simon Frasier University, Universdad de Sevilla, Simon Fraser University, Univ of Utah, Univ of Wyoming, New Mexico Tech, GLOBALFOUNDRIES, IBM Systems and Technology Group, IBM Research Division, Irvine Valley College, University of Colorado - Boulder, Department of Physics, Arizona State University, Tempe, AZ, Department of Physics, New Mexico State University, Las Cruces, NM, Department of Physics, University of Michigan, Flint, MI, High Altitude Observatory, JILA, University of Colorado
Benjamin Bloom

Department of Physics, University of Arizona, Tucson, AZ, National Institute for Materials Science, Tsukuba, Japan, The University of Electro-Communications, Tokyo, Langmuir Laboratory, New Mexico Tech, The University of Arizona, Brigham Young University, Department of Physics Colorado State University, Colorado School of Mines, National Renewable Energy Laboratory, University of Colorado Boulder, Principal Investigator, Graduate Student, Colorado State University, SSRL, SLAC, Department of Chemistry and Biochemistry, Brigham Young University, Department of Physics and Astronomy, Brigham Young University, National Tsing Hua University, Hsinchu, Taiwan, Colorado State Univ, JILA, University of Colorado at Boulder, NIST, JILA, University of Colorado at Boulder, Heinrich-Heine-Universitat, Department of Physics, University of Colorado Denver, Denver, CO 80217, Biomedical Engineering, University of Texas at Austin, Austin, TX, The University Centre in Svalbard, Utah State University, Utah Valley University, New Mexico State University, The George Washington University Nuclear Physics Research Group, Institute for Nuclear Physics at the Johannes Gutenberg University of Mainz, None, Colorado State Engineering Research Center, St. Petersburg Electrotechnical University in Saint Petersburg, Russia, University of California San Diego, Argonne National Laboratory, Los Alamos National Laboratory, Imperial College London, Space Dynamics Lab, Utah State University, Physics and CASS, Utah State University, Department of Chemistry, Colorado State University, Fort Collins, CO 80523, Department of Physics, Colorado State University, Fort Collins, CO 80523, Dept. of Electrical, Computer, and Energy Engineering, University of Colorado at Boulder, Dept. of Physics and Astronomy, University of Denver, CU Boulder, RASEI, NREL, University of Colorado, Rutgers, UTK, Joint Institute for Heavy Ion Research \& ORNL, University of Guelph, Insitituto de Estructura de la Materia, University of Toronto, INFN Laboratori Nazionali del Sud, University of York, University of Surrey, TRIUMF, Simon Frasier University, Universdad de Sevilla, Simon Fraser University, Univ of Utah, Univ of Wyoming, New Mexico Tech, GLOBALFOUNDRIES, IBM Systems and Technology Group, IBM Research Division, Irvine Valley College, University of Colorado - Boulder, Department of Physics, Arizona State University, Tempe, AZ, Department of Physics, New Mexico State University, Las Cruces, NM, Department of Physics, University of Michigan, Flint, MI, High Altitude Observatory, JILA, University of Colorado
Benjamin Bloom

Department of Physics, University of Arizona, Tucson, AZ, National Institute for Materials Science, Tsukuba, Japan, The University of Electro-Communications, Tokyo, Langmuir Laboratory, New Mexico Tech, The University of Arizona, Brigham Young University, Department of Physics Colorado State University, Colorado School of Mines, National Renewable Energy Laboratory, University of Colorado Boulder, Principal Investigator, Graduate Student, Colorado State University, SSRL, SLAC, Department of Chemistry and Biochemistry, Brigham Young University, Department of Physics and Astronomy, Brigham Young University, National Tsing Hua University, Hsinchu, Taiwan, Colorado State Univ, JILA, University of Colorado at Boulder, NIST, JILA, University of Colorado at Boulder, Heinrich-Heine-Universitat, Department of Physics, University of Colorado Denver, Denver, CO 80217, Biomedical Engineering, University of Texas at Austin, Austin, TX, The University Centre in Svalbard, Utah State University, Utah Valley University, New Mexico State University, The George Washington University Nuclear Physics Research Group, Institute for Nuclear Physics at the Johannes Gutenberg University of Mainz, None, Colorado State Engineering Research Center, St. Petersburg Electrotechnical University in Saint Petersburg, Russia, University of California San Diego, Argonne National Laboratory, Los Alamos National Laboratory, Imperial College London, Space Dynamics Lab, Utah State University, Physics and CASS, Utah State University, Department of Chemistry, Colorado State University, Fort Collins, CO 80523, Department of Physics, Colorado State University, Fort Collins, CO 80523, Dept. of Electrical, Computer, and Energy Engineering, University of Colorado at Boulder, Dept. of Physics and Astronomy, University of Denver, CU Boulder, RASEI, NREL, University of Colorado, Rutgers, UTK, Joint Institute for Heavy Ion Research \& ORNL, University of Guelph, Insitituto de Estructura de la Materia, University of Toronto, INFN Laboratori Nazionali del Sud, University of York, University of Surrey, TRIUMF, Simon Frasier University, Universdad de Sevilla, Simon Fraser University, Univ of Utah, Univ of Wyoming, New Mexico Tech, GLOBALFOUNDRIES, IBM Systems and Technology Group, IBM Research Division, Irvine Valley College, University of Colorado - Boulder, Department of Physics, Arizona State University, Tempe, AZ, Department of Physics, New Mexico State University, Las Cruces, NM, Department of Physics, University of Michigan, Flint, MI, High Altitude Observatory, JILA, University of Colorado
Benjamin Bloom

Department of Physics, University of Arizona, Tucson, AZ, National Institute for Materials Science, Tsukuba, Japan, The University of Electro-Communications, Tokyo, Langmuir Laboratory, New Mexico Tech, The University of Arizona, Brigham Young University, Department of Physics Colorado State University, Colorado School of Mines, National Renewable Energy Laboratory, University of Colorado Boulder, Principal Investigator, Graduate Student, Colorado State University, SSRL, SLAC, Department of Chemistry and Biochemistry, Brigham Young University, Department of Physics and Astronomy, Brigham Young University, National Tsing Hua University, Hsinchu, Taiwan, Colorado State Univ, JILA, University of Colorado at Boulder, NIST, JILA, University of Colorado at Boulder, Heinrich-Heine-Universitat, Department of Physics, University of Colorado Denver, Denver, CO 80217, Biomedical Engineering, University of Texas at Austin, Austin, TX, The University Centre in Svalbard, Utah State University, Utah Valley University, New Mexico State University, The George Washington University Nuclear Physics Research Group, Institute for Nuclear Physics at the Johannes Gutenberg University of Mainz, None, Colorado State Engineering Research Center, St. Petersburg Electrotechnical University in Saint Petersburg, Russia, University of California San Diego, Argonne National Laboratory, Los Alamos National Laboratory, Imperial College London, Space Dynamics Lab, Utah State University, Physics and CASS, Utah State University, Department of Chemistry, Colorado State University, Fort Collins, CO 80523, Department of Physics, Colorado State University, Fort Collins, CO 80523, Dept. of Electrical, Computer, and Energy Engineering, University of Colorado at Boulder, Dept. of Physics and Astronomy, University of Denver, CU Boulder, RASEI, NREL, University of Colorado, Rutgers, UTK, Joint Institute for Heavy Ion Research \& ORNL, University of Guelph, Insitituto de Estructura de la Materia, University of Toronto, INFN Laboratori Nazionali del Sud, University of York, University of Surrey, TRIUMF, Simon Frasier University, Universdad de Sevilla, Simon Fraser University, Univ of Utah, Univ of Wyoming, New Mexico Tech, GLOBALFOUNDRIES, IBM Systems and Technology Group, IBM Research Division, Irvine Valley College, University of Colorado - Boulder, Department of Physics, Arizona State University, Tempe, AZ, Department of Physics, New Mexico State University, Las Cruces, NM, Department of Physics, University of Michigan, Flint, MI, High Altitude Observatory, JILA, University of Colorado
Benjamin Bloom

Department of Physics, University of Arizona, Tucson, AZ, National Institute for Materials Science, Tsukuba, Japan, The University of Electro-Communications, Tokyo, Langmuir Laboratory, New Mexico Tech, The University of Arizona, Brigham Young University, Department of Physics Colorado State University, Colorado School of Mines, National Renewable Energy Laboratory, University of Colorado Boulder, Principal Investigator, Graduate Student, Colorado State University, SSRL, SLAC, Department of Chemistry and Biochemistry, Brigham Young University, Department of Physics and Astronomy, Brigham Young University, National Tsing Hua University, Hsinchu, Taiwan, Colorado State Univ, JILA, University of Colorado at Boulder, NIST, JILA, University of Colorado at Boulder, Heinrich-Heine-Universitat, Department of Physics, University of Colorado Denver, Denver, CO 80217, Biomedical Engineering, University of Texas at Austin, Austin, TX, The University Centre in Svalbard, Utah State University, Utah Valley University, New Mexico State University, The George Washington University Nuclear Physics Research Group, Institute for Nuclear Physics at the Johannes Gutenberg University of Mainz, None, Colorado State Engineering Research Center, St. Petersburg Electrotechnical University in Saint Petersburg, Russia, University of California San Diego, Argonne National Laboratory, Los Alamos National Laboratory, Imperial College London, Space Dynamics Lab, Utah State University, Physics and CASS, Utah State University, Department of Chemistry, Colorado State University, Fort Collins, CO 80523, Department of Physics, Colorado State University, Fort Collins, CO 80523, Dept. of Electrical, Computer, and Energy Engineering, University of Colorado at Boulder, Dept. of Physics and Astronomy, University of Denver, CU Boulder, RASEI, NREL, University of Colorado, Rutgers, UTK, Joint Institute for Heavy Ion Research \& ORNL, University of Guelph, Insitituto de Estructura de la Materia, University of Toronto, INFN Laboratori Nazionali del Sud, University of York, University of Surrey, TRIUMF, Simon Frasier University, Universdad de Sevilla, Simon Fraser University, Univ of Utah, Univ of Wyoming, New Mexico Tech, GLOBALFOUNDRIES, IBM Systems and Technology Group, IBM Research Division, Irvine Valley College, University of Colorado - Boulder, Department of Physics, Arizona State University, Tempe, AZ, Department of Physics, New Mexico State University, Las Cruces, NM, Department of Physics, University of Michigan, Flint, MI, High Altitude Observatory, JILA, University of Colorado
Benjamin Bloom

Department of Physics, University of Arizona, Tucson, AZ, National Institute for Materials Science, Tsukuba, Japan, The University of Electro-Communications, Tokyo, Langmuir Laboratory, New Mexico Tech, The University of Arizona, Brigham Young University, Department of Physics Colorado State University, Colorado School of Mines, National Renewable Energy Laboratory, University of Colorado Boulder, Principal Investigator, Graduate Student, Colorado State University, SSRL, SLAC, Department of Chemistry and Biochemistry, Brigham Young University, Department of Physics and Astronomy, Brigham Young University, National Tsing Hua University, Hsinchu, Taiwan, Colorado State Univ, JILA, University of Colorado at Boulder, NIST, JILA, University of Colorado at Boulder, Heinrich-Heine-Universitat, Department of Physics, University of Colorado Denver, Denver, CO 80217, Biomedical Engineering, University of Texas at Austin, Austin, TX, The University Centre in Svalbard, Utah State University, Utah Valley University, New Mexico State University, The George Washington University Nuclear Physics Research Group, Institute for Nuclear Physics at the Johannes Gutenberg University of Mainz, None, Colorado State Engineering Research Center, St. Petersburg Electrotechnical University in Saint Petersburg, Russia, University of California San Diego, Argonne National Laboratory, Los Alamos National Laboratory, Imperial College London, Space Dynamics Lab, Utah State University, Physics and CASS, Utah State University, Department of Chemistry, Colorado State University, Fort Collins, CO 80523, Department of Physics, Colorado State University, Fort Collins, CO 80523, Dept. of Electrical, Computer, and Energy Engineering, University of Colorado at Boulder, Dept. of Physics and Astronomy, University of Denver, CU Boulder, RASEI, NREL, University of Colorado, Rutgers, UTK, Joint Institute for Heavy Ion Research \& ORNL, University of Guelph, Insitituto de Estructura de la Materia, University of Toronto, INFN Laboratori Nazionali del Sud, University of York, University of Surrey, TRIUMF, Simon Frasier University, Universdad de Sevilla, Simon Fraser University, Univ of Utah, Univ of Wyoming, New Mexico Tech, GLOBALFOUNDRIES, IBM Systems and Technology Group, IBM Research Division, Irvine Valley College, University of Colorado - Boulder, Department of Physics, Arizona State University, Tempe, AZ, Department of Physics, New Mexico State University, Las Cruces, NM, Department of Physics, University of Michigan, Flint, MI, High Altitude Observatory, JILA, University of Colorado