Projects from Prof. Dr. Uwe Gerstmann

Theoretical Materials Physics

6 projects were found

Understanding and optimizing triplet exciton transfer at organic-inorganic interfaces: Microscopic calculations

Photovoltaics play an important role for the provision of clean and renewable energy. Presently, silicon solar cells dominate the market. However, they have a serious efficiency limitation: The photon energy in excess of the silicon band gap is transformed into unwanted heat. Singlet exciton fission, in which two triplet excitons are generated from ...

Duration: 01/2023 - 12/2027

Funded by: DFG

TRR 142 - Subproject A11

Duration: 01/2022 - 12/2025

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Transregional Collaborative Research Center TRR 142 - Tailored Nonlinear Photonics: From Fundamental Concepts to Functional Structures

The central goal of this CRC is the exploration, development, and engineering of future nonlinear photonics, which uses state-of-the-art technological capabilities for the exploration of new physics and devices based on tailored strong nonlinearities and genuine quantum effects. Our research harnesses tailored solid-state systems and bridges the ...

Duration: 04/2014 - 12/2025

Funded by: DFG

TRR 142 - Ab initio theory for photonic materials (B04)

In this project, we develop computational methods and perform calculations that aim at the parameter-free modeling of the photonic materials studied in the CRC with predictive accuracy. Particular attention is paid to the nonlinear optical response. The influence of electronic many-body effects, electron-phonon coupling and spin-orbit coupling is ...

Duration: 04/2014 - 03/2021

Funded by: DFG

FOR 1405: Dynamics of Electron Transfer Processes within Transition Metal Sites in Biological and Bioinorganic Systems

Structures and reactivities of chemical substances are highly affected by charge distributions. This appraisal holds not only for synthetic systems but for metallobiomolecules as well. Hence, transfer of charge density within these systems should result in structural changes on a molecular as well as on an atomic level and thus is predestinated to ...

Duration: 01/2011 - 12/2017

Funded by: DFG

FOR 1405 - Theoretical Modeling of Bioinorganic Copper Complexes

Within this project we explore computationally the ground- and excited-state properties of copper-based biomimetic complexes synthesized in SP3 (bis--oxo and -2:2-peroxo dicopper complexes), SP4 (CuA model complexes) and SP5 (Type Zero model complexes). The calculations are mainly based on density functional theory (DFT). Excited electronic states ...

Duration: 01/2011 - 12/2017

Funded by: DFG