Manipulating Light with Transition Metal Clusters, Organic Dyes, and Metal Organic Frameworks
- Univ. of Illinois, Chicago, IL (United States)
The primary goals of our research program is to develop and apply state-of-the-art first-principles methods to predict electronic and optical properties of three systems of significant scientific and technological interest: transition metal clusters, organic dyes, and metal-organic frameworks. These systems offer great opportunities to manipulate light for a wide ranging list of energy-related scientific problems and applications. During this grant period, we focused our investigations on the development, implementation, and benchmarking of many-body Green’s function methods (GW approximation and the Bethe-Salpeter equation) to examine excited-state properties of transition metal/transition-metal-oxide clusters and organic molecules that comprise the building blocks of dyes and metal-organic frameworks.
- Research Organization:
- Univ. of Illinois, Chicago, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- DOE Contract Number:
- SC0001853
- OSTI ID:
- 1389151
- Report Number(s):
- DE-SC0001853
- Country of Publication:
- United States
- Language:
- English
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