Projects from Prof. Dr. Wolf Gero Schmidt
1st-principles-Modell eines Kohlenstoff-Silizium-Verbundhalbleiters mittels (hybrider) Dichtefunktionaltheorie gem. Vorgespr?ch sowie Berechnung der thermodyn. Stabilit?t + elektr. Eigenschaften des Halbleiters, insb. Bandlücke + effektive Massen der Ladungstr?ger an Leitungs- + Valenzbandkante, sowie des Orbitalcharakters der Bandkanten
Berechnung der thermodynamischen Stabilit?t und elektronischen Eigenschaften des Halbleiters, insbesondere Bandlücke und effektive Massen der Ladungstr?ger an Leitungs- und Valenzbandkante, sowie des Orbitalcharakters der Bandkanten
Duration: 04/2025 - 10/2025
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
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
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
Hochleistungsrechencluster (HPC-Cluster)
Das beantragte leistungsf?hige, 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 (H?chstleistungs-) Rechenzentren sind, erfordern viele Aufgaben (z.B. ...
Duration: 01/2015 - 12/2015
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
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
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
In situ-Untersuchung der Interaktion zwischen Wasser und kleinen Peptiden an Au(110)- und Cu(110)-Oberfl?chen 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 Metalloberfl?chen auftreten. Insbesondere m?chten wir die folgenden Fragen bezüglich kleiner Biomoleküle auf Metalloberfl?chen aufkl?ren: Wie adsorbieren sie zur Oberfl?che? Wie wirken sie an der Oberfl?che aufeinander ein? Was ...
Duration: 01/2014 - 12/2018