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Phagocytosis and receptor-mediated endocytosis are vitally important particle uptake mechanisms in many cell types, ranging from single-cell organisms to immune cells. In both processes, engulfment by the cell depends critically on both…
Nanogranular material systems are promising for a variety of applications in research and development. Their physical properties are often determined by grain sizes, shapes, mutual distances and by the chemistry of the embedding matrix With…
Perovskite quantum dots (pQDs) are promising materials for optoelectronic and photocatalytic applications due to their unique optical properties. To enhance charge carrier extraction or injection donor/acceptor molecules can be tethered to…
Nanodiamonds (NDs) gained increasing attention in multiple research areas due to the possibility of tuning their physical and chemical features by functionalizing their surface. This has a crucial impact on their electrical properties,…
QCDFT is a multiscale modeling approach that can simulate multi-million atoms effectively via density functional theory (DFT). The method is based on the framework of quasicontinuum (QC) approach with DFT as its sole energetics formulation.…
The effect of the local fields on the absorption spectra of silicon nanoclusters (NCs), freestanding or embedded in SiO2, is investigated in the DFT-RPA framework for different size and amorphization of the samples. We show that local field…
With the increasing energy crisis and the prevalent concept of green sustainability, quantum dot materials have become a hot spot in the academic and industrial fields of chemistry. Due to unique, tailor-made photovoltaic properties based…
Quantum dots (QDs), embedded in supercapacitors (S-C) cells exhibited capacitance amplification that peaked at certain QD concentration. More than 2.5 peak amplification was demonstrated with cyclic voltammetry (C-V) at a scan rate of 0.1…
Levitating charged particles in ultra-high vacuum provides a preeminent platform for quantum information processing, for quantum-enhanced force and torque sensing, for probing physics beyond the standard model, and for high-mass tests of…
Nanoparticle (NP) arrays of noble metals strongly absorb light in the visible to infrared wavelengths through resonant interactions between the incident electromagnetic field and the metal's free electron plasma. Such plasmonic interfaces…
Nanophotonic objects like plasmonic nanoparticles and colloidal quantum dots can complement the functionality of molecular dyes in biomedical optics. However, their operation is usually governed by spontaneous processes, which results in…
Surface energy is a fundamental property of materials and is particularly important in describing nanomaterials where atoms or molecules at the surface constitute a large fraction of the material. Traditionally, surface energy is considered…
We formulate and analyze in detail the ground state quantum electrodynamical density functional theory (QEDFT) for a generalized Dicke model describing a collection of $N$ tight-binding dimers minimally coupled to a cavity photon mode. This…
We realize strongly confined quantum dots (QDs) in InAs nanowires (NWs) by combining epitaxial crystal-phase control with chemical wet etching. A strong axial confinement is first introduced by growing closely spaced wurtzite (WZ) tunnel…
We demonstrate an unexpectedly strong surface-plasmonic absorption at the interface of silver and high-index dielectrics based on electron and photon spectroscopy. The measured bandwidth and intensity of absorption deviate significantly…
Spherical-cap-shaped interfacial nanobubbles (NBs) forming on hydrophobic surfaces in aqueous solutions have extensively been studied both from a fundamental point of view and due to their relevance for various practical applications. In…
Nanoscopic heterogeneities in composition and structure are quintessential for the properties of electrocatalyst materials. Here, we present a semiclassical model to study the electrochemical properties of supported electrocatalyst…
We develop the theory of a metamaterial composed of an array of discrete quantum absorbers inside a one-dimensional waveguide that implements a high-efficiency microwave photon detector. A basic design consists of a few metastable…
Gold nanoparticles (AuNPs) have been shown to possess properties beneficial for the treatment of cancerous tumors by acting as radiosensitizers for both photon and ion radiation. Blood circulation time is usually increased by coating the…
In this dissertation we use sophisticated numerical methods in order to examine ground-state (GS) properties of two types of quantum systems with electron electron interactions: A quantum dot (QD) and a nano-wire. In the first half of the…