Dimensioning and characterisation of an EWOD-driven chipintegrated micropump using time-resolved simulations. - In: MikroSystemTechnik, (2021), S. 531-534
Simulation model and dimensioning of a photoacoustic sensor for the detection of radiation-induced pressure surges. - In: MikroSystemTechnik, (2021), S. 523-526
Uphill and downhill charge generation from charge transfer to charge separated states in organic solar cells. - In: Journal of materials chemistry, ISSN 2050-7534, Bd. 9 (2021), 40, S. 14463-14489
It is common knowledge that molecular energy level offsets of a type II heterojunction formed at the donor-acceptor interface are considered to be the driving force for photoinduced charge transfer in organic solar cells. Usually, these offsets - present between molecular energy levels of the donor and acceptor - are obtained via cyclic voltammetry (CV) measurements of organic semiconductors cast in a film or dissolved in solution. Simply transferring such determined energy levels from solution or film of single materials to blend films may be obviously limited and not be possible in full generality. Herein, we report various cases of material combinations in which novel non-fullerene acceptors did not yield successful charge transfer, although energy levels obtained by CV on constituting single materials indicate a type II heterojunction. Whilst the integer charge transfer (ICT) model provides one explanation for a relative rise of molecular energy levels of acceptors, further details and other cases have not been studied so far in great detail. By applying energy-resolved electrochemical impedance spectroscopy (ER-EIS) on several donor-acceptor combinations, a Fano-like resonance feature associated with a distinctive molecular energy level of the acceptor as well as various relative molecular energy level shifts of different kinds could be observed. By analyzing ER-EIS and absorption spectra, not only the exciton binding energy within single materials could be determined, but also the commonly unknown binding energy of the CT state with regard to the joint density of states (jDOS) of the effective semiconductor. The latter is defined by transitions between the highest occupied molecular orbitals (HOMO) of the donor and the lowest unoccupied molecular orbitals (LUMO) of the acceptor. Using this technique among others, we identified cases in which charge generation may occur either via uphill or by downhill processes between the charge transfer exciton and the electronic gap of the effective semiconductor. Exceptionally high CT-exciton binding energies and thus low charge generation yields were obtained for a case in which the donor and acceptor yielded a too intimate blend morphology, indicating π-π stacking as a potential cause for unfavorable molecular energy level alignment.
https://doi.org/10.1039/D1TC02351A
InP and AlInP(001)(2 × 4) surface oxidation from density functional theory. - In: ACS omega, ISSN 2470-1343, Bd. 6 (2021), 9, S. 6297-6304
The atomic structure and electronic properties of the InP and Al0.5In0.5P(001) surfaces at the initial stages of oxidation are investigated via density functional theory. Thereby, we focus on the mixed-dimer (2 × 4) surfaces stable for cation-rich preparation conditions. For InP, the top In-P dimer is the most favored adsorption site, while it is the second-layer Al-Al dimer for AlInP. The energetically favored adsorption sites yield group III-O bond-related states in the energy region of the bulk band gap, which may act as recombination centers. Consistently, the In p state density around the conduction edge is found to be reduced upon oxidation.
https://doi.org/10.1021/acsomega.0c06019
Programmable multiple plasmonic resonances of nanoparticle superlattice for enhancing photoelectrochemical activity. - In: Advanced functional materials, ISSN 1616-3028, Bd. 30 (2020), 48, 2005170, insges. 10 S.
https://doi.org/10.1002/adfm.202005170
First-principles study of the structural and electronic properties of the GaAsxP1-x surface. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section (SKM) together with the DPG Division Environmental Physics and the Working Groups Accelerator Physics; Equal Opportunities; Energy; Industry and Business; Physics, Modern IT and Artificial Intelligence, Young DPG, (2020), HL 6.9
Impact of the upcoming "Nationale Forschungsdaten Infrastruktur NFDI" on the SKM Community. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section (SKM) together with the DPG Division Environmental Physics and the Working Groups Accelerator Physics; Equal Opportunities; Energy; Industry and Business; Physics, Modern IT and Artificial Intelligence, Young DPG, (2020), PSV III
Fluctuation-modulated third harmonic deep ultraviolet emission from randomly disordered Si nanograss. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section (SKM) together with the DPG Division Environmental Physics and the Working Groups Accelerator Physics; Equal Opportunities; Energy; Industry and Business; Physics, Modern IT and Artificial Intelligence, Young DPG, (2020), O 18.10
Nonlinear plasmon-exciton coupling enhances sum-frequency generation from a Au/ZnO nanohybrid. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section (SKM) together with the DPG Division Environmental Physics and the Working Groups Accelerator Physics; Equal Opportunities; Energy; Industry and Business; Physics, Modern IT and Artificial Intelligence, Young DPG, (2020), O 18.9
Improved numerical reconstruction method for Metastable Induced Electron Spectra of molecules. - In: DPG-Frühjahrstagung (DPG Spring Meeting) of the Condensed Matter Section (SKM) together with the DPG Division Environmental Physics and the Working Groups Accelerator Physics; Equal Opportunities; Energy; Industry and Business; Physics, Modern IT and Artificial Intelligence, Young DPG, (2020), O 48.6