D. Schebarchov
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View article: Mechanisms in Carbon Nanotube Growth: Modelling and Molecular Dynamics Simulations
Mechanisms in Carbon Nanotube Growth: Modelling and Molecular Dynamics Simulations Open
A selection of nanoscale processes is studied theoretically, with the aim of identifying themechanisms that could lead to selective carbon nanotube (CNT) growth. Only mechanisms relevant to catalytic chemical vapour deposition (CVD) are co…
View article: Mechanisms in Carbon Nanotube Growth: Modelling and Molecular Dynamics Simulations
Mechanisms in Carbon Nanotube Growth: Modelling and Molecular Dynamics Simulations Open
A selection of nanoscale processes is studied theoretically, with the aim of identifying themechanisms that could lead to selective carbon nanotube (CNT) growth. Only mechanisms relevant to catalytic chemical vapour deposition (CVD) are co…
View article: Core–Shell Bimetallic Nanoparticle Trimers for Efficient Light-to-Chemical Energy Conversion
Core–Shell Bimetallic Nanoparticle Trimers for Efficient Light-to-Chemical Energy Conversion Open
Incorporation of catalytically active materials into plasmonic metal\nnanostructures can efficiently merge the reactivity and energy harvesting\nabilities of both types of materials for visible light photocatalysis. Here we\nexplore the in…
View article: Mind the gap: testing the Rayleigh hypothesis in T-matrix calculations with adjacent spheroids
Mind the gap: testing the Rayleigh hypothesis in T-matrix calculations with adjacent spheroids Open
The T-matrix framework offers accurate and efficient modelling of electromagnetic scattering by nonspherical particles in a wide variety of applications ranging from nano-optics to atmospheric science. Its analytical setting, in contrast t…
View article: Approximate <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>T</mml:mi></mml:math> matrix and optical properties of spheroidal particles to third order with respect to size parameter
Approximate matrix and optical properties of spheroidal particles to third order with respect to size parameter Open
We here calculate the series expansion of the T-matrix for a spheroidal\nparticle in the small-size/long-wavelength limit, up to third lowest order with\nrespect to the size parameter, X, which we will define rigorously for a\nnon-spherica…
View article: Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework
Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework Open
We use the energy landscapes framework to shed new light on the structural diversity of model AuN clusters (30 ≤ N ≤ 147), and we find optimal transition pathways connecting prominent morphologies.
View article: Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates
Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates Open
We analyze the structure of model NiN and CuN clusters (N = 55, 147) supported on a variety of atomically smooth van der Waals surfaces. The global minima are mapped in the space of two parameters: (i) the laterally averaged surface sticki…
View article: Impurity effects on solid–solid transitions in atomic clusters
Impurity effects on solid–solid transitions in atomic clusters Open
We use the harmonic superposition approach to examine how a single atom substitution affects low-temperature anomalies in the vibrational heat capacity (C$_{V}$) of model nanoclusters. Each anomaly is linked to competing solidlike "phases"…