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 - Polaron signatures in the optical response of lithium niobate (B07*)

This joint theory-experiment project will explore the rich physics of polarons and their optical signatures. In particular, we plan to resolve their influence on the linear and nonlinear optical properties of the material as well as their condensation, hopping and dissociation characteristics in interaction with intrinsic and extrinsic point ...

Duration: 01/2022 - 12/2025

Electron dynamics at surface-modified photocathodes

This project aims to understand the fundamental processes that govern electron dynamics and energetics of prototypical photoelectrode surfaces, the associated internal interfaces near semiconductor surfaces and related model systems in view of photoelectrochemical hydrogen generation. The detailed mechanisms of interfacial electron transfer ...

Duration: 07/2019 - 12/2023

Funded by: DFG

Investigation of Heterogeneous Photocatalysts based on TiO2-Graphene Composites in Selective Synthetic Transformations

Heterogeneous photocatalysis is an exciting technology. The development of catalysts that allow for exploiting light sources in the VIS range, e.g., sunlight, is of particular interest for numerous applications. Here we propose to develop, synthesize and characterize efficient photocatalytic TiO2-carbon nanomaterial-based composites and to ...

Duration: 12/2018 - 12/2023

Funded by: DFG

Hochleistungsrechencluster (HPC-Cluster)

Das beantragte leistungsfähige, Cluster-basierte Parallelrechnersystem soll den Bedarf der Paderborner Naturwissenschaften an lokal vorhandener paralleler Rechenleistung bis über das Jahr 2018 hinaus sicherstellen. Obwohl die beteiligten Arbeitsgruppen auch Nutzer an nationalen (Höchstleistungs-) Rechenzentren sind, erfordern viele Aufgaben (z.B. ...

Duration: 01/2015 - 12/2015

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

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 - Nonlinear multi-photon and harmonics generation spectroscopy on ZnO-based nanostructures (B01)

This project addresses the enhancement of nonlinear processes such as second and third harmonic generation as well as two- and three-photon absorption due to exciton effects. Due to the strong Coulomb interaction, ZnO is in the main focus in the project which exhibits both strong nonlinear material constants and exciton binding energy. In this ...

Duration: 04/2014 - 03/2021

Funded by: DFG

In situ-Untersuchung der Interaktion zwischen Wasser und kleinen Peptiden an Au(110)- und Cu(110)-Oberflächen mittels Umgebungsdruck-Photo-Elektronen-Spektroskopie (NAP-XPS) und Reflexions-Anisotropie-Spektroskopie (RAS)

Das Projektziel ist, einen Einblick in die Prozesse zu gewinnen, die bei Interaktionen zwischen Wasser und Biomolekülen an Metalloberflächen auftreten. Insbesondere möchten wir die folgenden Fragen bezüglich kleiner Biomoleküle auf Metalloberflächen aufklären: Wie adsorbieren sie zur Oberfläche? Wie wirken sie an der Oberfläche aufeinander ein? Was ...

Duration: 01/2014 - 12/2018

Funded by: DFG

Molekular adsorption on ferroelectrics calculated from first-principles

The physical and chemical properties of ferroelectric surfaces are polarization dependent. For example, water films freeze at different temperatures and the chemical etching properties of surfaces with opposite polarization are strongly different. The ferroelectric domain orientation affects molecular adsorption phenomena. As the dipole orientation ...

Duration: 01/2013 - 12/2020

Funded by: DFG