Read between the Molecules: Computational Insights into Organic Semiconductors

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The use of a bulk heterojunction of organic semiconductors to drive photoelectrochemical water splitting is an emerging trend; however, the optimum energy levels of the donor and acceptor have not been established for photoanode operation with respect to e ...

GeSn is a promising group-IV semiconductor material for on-chip Si photonics devices and high-mobility transistors. These devices require the use of doped GeSn regions, achieved preferably in situ during epitaxy. From the electronic valence point of view, ...

This thesis investigates novel single-molecule luminescence phenomena at their inherent, sub-molecular length scale. The microscopic understanding of luminescence processes will be crucial for the continued improvement of organic optoelectronic and semicon ...

Halide perovskites have gained tremendous attention over the past decade, but the poor stability of perovskite solar cells (PSCs) under operating conditions hampers their practical application. This thesis investigates materials that can be used to enhance ...

To solve the toxicity issues related to lead-based halide perovskitesolar cells, the lead-free double halide perovskite Cs2AgBiBr6 is proposed. However, reduced rate of charge transferin double perovskites affects optoelectronic performance. We designeda s ...

Thermally stimulated current (TSC) is a widely used technique to assess trap states and extract their density, energy, and capture rate using analytical expressions. In many cases, the latter are derived from physical models pertaining to inorganic semicon ...

Selective area epitaxy (SAE) provides the path for scalable fabrication of semiconductor nanostructures in a device-compatible configuration. In the current paradigm, SAE is understood as localized epitaxy, and is modelled by combining planar and self-asse ...

Molecules with inversion of the singlet and triplet excited-state energies are highly promising for the development of organic light-emitting diodes (OLEDs). To date, azaphenalenes are the only class of molecules where these inversions have been identified ...

III-N light-emitting-diodes (LEDs) are subject of intense investigations, thanks to their high efficiency and great reliability. The quality of the semiconductor material has a significant impact on the electro-optical performance of LEDs: for this reason, ...

Zinc phosphide (Zn3P2) is an earth-abundant semiconductor with promising properties for applications as an absorber in photovoltaics. To beat the 40 years old record power conversion efficiency of solar cells made with this material, a deep understanding o ...

Heterojunction carrier selective contacts for solar cells have gained great attention because of the ability of these contacts to efficiently collect majority carriers while hindering the recombination of minority carriers, thus resulting in the highest re ...

Hot exciton materials have the potential to improve the quantum efficiency of organic light-emitting diodes (OLEDs) by promoting high reversed intersystem crossing (hRISC) between a high-lying triplet (T-n, n >= 2) and a radiative singlet (S-m). In recent ...

Read between the Molecules: Computational Insights into Organic Semiconductors

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Bulk Heterojunction Organic Semiconductor Photoanodes: Tuning Energy Levels to Optimize Electron Injection

Surfactant behavior and limited incorporation of indium during in situ doping of GeSn grown by molecular beam epitaxy

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Materials engineering for improved stability of perovskite solar cells

Molecular Tailoring of Pyridine Core-Based Hole Selective Layer for Lead Free Double Perovskite Solar Cells Fabrication

Scrutinizing thermally stimulated current transients originating from trapped charges in organic semiconductors: A drift-diffusion study

Selective area epitaxy of GaAs: the unintuitive role of feature size and pitch

Symmetry-Induced Singlet-Triplet Inversions in Non-Alternant Hydrocarbons

Defects in III-N LEDs: experimental identification and impact on electro-optical characteristics

Optical spectroscopy of earth-abundant zinc pnictides for photovoltaics

New metric for carrier selective contacts for silicon heterojunction solar cells

Donor-Acceptor-Donor "Hot Exciton" Triads for High Reverse Intersystem Crossing in OLEDs