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Title: Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes

Abstract

The goal of the research program is to reliably describe electron transport and transfer processes at the molecular level. Such insight is essential for improving molecular applications of solar and thermal energy conversion. We develop electronic structure models to study (1) photoinduced electron transfer and transport processes in organic semiconducting materials, and (2) charge and heat transport through molecular bridges. We seek fundamental understanding of key processes, which lead to design new experiments and ultimately to achieve systems with improved properties.

Authors:
 [1]
  1. Kent State Univ., Kent, OH (United States)
Publication Date:
Research Org.:
Kent State Univ., Kent, OH (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1287449
Report Number(s):
1
DE-FG02-10ER16174
DOE Contract Number:  
SC0004924
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Electron Transport; Charge Transfer; Organic semiconducting; Molecular bridges; Density Functional Theory

Citation Formats

Dunietz, Barry D. Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes. United States: N. p., 2016. Web.
Dunietz, Barry D. Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes. United States.
Dunietz, Barry D. 2016. "Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes". United States.
@article{osti_1287449,
title = {Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes},
author = {Dunietz, Barry D.},
abstractNote = {The goal of the research program is to reliably describe electron transport and transfer processes at the molecular level. Such insight is essential for improving molecular applications of solar and thermal energy conversion. We develop electronic structure models to study (1) photoinduced electron transfer and transport processes in organic semiconducting materials, and (2) charge and heat transport through molecular bridges. We seek fundamental understanding of key processes, which lead to design new experiments and ultimately to achieve systems with improved properties.},
doi = {},
url = {https://www.osti.gov/biblio/1287449}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Aug 09 00:00:00 EDT 2016},
month = {Tue Aug 09 00:00:00 EDT 2016}
}

Technical Report:
Other availability
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