Browsing School of Physics by Title
Now showing items 2051-2070 of 2116
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Unraveling the role of the electron-pair density symmetry in reaction mechanism patterns: the Newman-Kwart rearrangement
(Royal Society of Chemistry (RSC), 2022)This work focuses on correctly identifying the topological signatures associated with the bond-breaking/ bond-forming processes along the versatile Newman–Kwart rearrangement. In contrast to recent reports and within the ... -
Unveiling Charge-Transport Mechanisms in Electronic Devices Based on Defect-Engineered MoS2 Covalent Networks
(2023)Device performance of solution-processed 2D semiconductors in printed electronics has been limited so far by structural defects and high interflake junction resistance. Covalently interconnected networks of transition metal ... -
Unveiling phonons in a molecular qubit with four-dimensional inelastic neutron scattering and density functional theory
(2020)Phonons are the main source of relaxation in molecular nanomagnets, and different mechanisms have been proposed in order to explain the wealth of experimental findings. However, very limited experimental investigations on ... -
Unveiling the dynamic capacitive storage mechanism of Co3O4 @NiCo2O4 hybrid nanoelectrodes for supercapacitor applications
(2014)We report a simple and cost-effective approach to the synthesis of hierarchical mesporous Co3O4@NiCo2O4 nanoforests on Ni foam for supercapacitor (SC) electrode applications by a coupled one-step solution and annealing ... -
Up-Conversion Luminescence in Colloidal CdTe Nanocrystals
(Materials Research Society, 2002) -
Upper bound for the conductivity of nanotube networks
(2009)Films composed of nanotube networks have their conductivities regulated by the junction resistances formed between tubes. Conductivity values are enhanced by lower junction resistances but should reach a maximum that is ... -
The use of wide-bandgap CuCl on silicon for ultra-violet photonics
(2005)γ-CuCl is a wide-bandgap (Eg = 3.395eV), direct bandgap, semiconductor material with a cubic zincblende lattice structure. Its lattice constant, aCuCl = 0.541 nm, means that the lattice mismatch to Si (aSi = 0.543 nm) is ... -
Using chronoamperometry to rapidly measure and quantitatively analyse rate-performance in battery electrodes
(2020)For battery electrodes, measured capacity decays as charge/discharge current is increased. Such rate-performance is usually characterised via galvanostatic charge-discharge measurements, experiments which are very slow, ... -
Using steps at the Si-SiO2 interface to test simple bond models of the optical second-harmonic response
(2007)A simple bond model of the optical second-harmonic (SH) response from interfaces, which assumes a single axial component for each bond, is tested by comparing the response from different step structures at the Si?SiO2 ... -
Using surface and interface optics to probe the capping, with amorphous Si, of Au atom chains grown on vicinal Si(111)
(2009)The distinct optical signatures of aligned single and double Au atom chain structures, grown on vicinal Si(111) substrates, have been identified using reflectance anisotropy spectroscopy (RAS). Deposition of 0.04 monolayers ... -
Using Weakly Supervised Deep Learning to Classify and Segment Single-Molecule Break-Junction Conductance Traces
(2021)In order to design molecular electronic devices with high performance and stability, it is crucial to understand their structure-to-property relationships. Single-molecule break junction measurements yield a large number ... -
Using Your Beam Efficiently: Reducing Electron Dose in the STEM via Flyback Compensation
(2022)In the scanning transmission electron microscope, fast-scanning and frame-averaging are two widely used approaches for reducing electron-beam damage and increasing image signal noise ratio which require no additional ... -
Utilising Chromium-Based p-Type Transparent Conducting Oxides in Photovoltaic Devices
(Trinity College Dublin. School of Physics. Discipline of Physics, 2018)This thesis deals with the growth of modern, highly performing p-type transparent conducting oxides and their utilisation in two types of photovoltaic devices. X-ray spectroscopic techniques are used to understand the ... -
Vacancies, interstitials and close Frenkel Pairs on the zinc sublattice of ZnSe
(American Physical Society, 1996)Zinc vacancies (VZn), zinc interstitials (Zni), and ~25 distinct VZn?Zni Frenkel pairs of different lattice separations are observed in ZnSe by the optical detection of magnetic resonance in photoluminescence after 2.5 MeV ... -
Variable range of the RKKY interaction in edged graphene
(2014)The indirect exchange interaction is one of the key factors in determining the overall alignment of magnetic impurities embedded in metallic host materials. In this work we examine the range of this interaction in ... -
Variation of average coordination number with liquid fraction for two-dimensional foams with finite contact angle
(2021)We present Surface Evolver computer simulations for two-dimensional (2d) foams in which the contact angle at which liquid films and Plateau borders meet is non-zero. We determine the average coordination number Z of bubbles ... -
Variation of the electronic functionality of self-seeded germanium nanowires through synthesis determined core-shell interface states
(Trinity College (Dublin, Ireland). School of Physics, 2015)Bottom up grown germanium nanowires may have an important role to play in future electronic devices. While the electrical properties of nanowires grown using a metallic seed as a catalyst have been extensively reported we ... -
A variational pseudo-self-interaction correction approach: ab-initio description of correlated oxides and molecules
(2011)We present a fully variational generalization of the pseudo self-interaction correction (VPSIC) approach previously presented in two implementations based on plane-waves and atomic orbital basis set, known as PSIC and ASIC, ... -
Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules
(2011)We present a variational pseudo self-interaction correction density functional approach (VPSIC) to the ab initio theoretical description of correlated solids and molecules. The approach generalizes previous nonvariational ...