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

Technical Report · Tue Aug 09 00:00:00 EDT 2016

OSTI ID:1334256

Dunietz, Barry D ^[1]

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1. Kent State Univ., Kent, OH (United States)

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.

• Research Organization: Kent State Univ., Kent, OH (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0008749
• OSTI ID: 1334256
• Report Number(s): DOE-KSU-0008749; DE-SC0004924 and DE-FG02-10ER16174
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Electron Transport
Charge Transfer
Organic semiconducting Molecular bridges
Density Functional Theory