Physics: Recent submissions
Now showing items 81-100 of 2200
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Hardware, methodology and applications of 2+D backscatter Mössbauer spectroscopy with simultaneous x-ray and γ-ray detection
(2024)A unique method is presented for the acquisition and analysis of 57Fe backscatter Mössbauer spectra with simultaneous detection of the resonant 14.4 keV γ-rays and the characteristic 6.4 keV x-rays, using a custom-built ... -
Mn4-xGaxN Thin Films for Ferrimagnetic Spintronics
(2023)Ferrimagnetic compensation in Mn4−xGaxN (0<x<0.27) thin films grown by sputtering on (001) MgO is determined from magnetisation and Anomalous Hall effect measurements and compared with results on the bulk material. ... -
Many-Body Theory Calculations of Positron Scattering and Annihilation in H2, N2, and CH4
(2023)The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Many-body theory of positron binding to polyatomic molecules, Nature (London) 606, 688 (2022)] is combined with the ... -
Many-body theory calculations of positron binding to halogenated hydrocarbons
(2024)Positron binding energies in halogenated hydrocarbons are calculated ab initio using many-body theory. For chlorinated molecules, including planars for which the interaction is highly anisotropic, very good to excellent ... -
Elucidating the N-N and C-N Bond-breaking Mechanism in the Photoinduced Formation of Nitrile Imine
(2023)In this study, we revealed the significance of chemical bonding for the photochemically induced mechanism of 2-phenyl tetrazole derivatives generating nitrile imines. The correlated electron localization function shows ... -
Uncovering Triradicaloid Structures in S1 Benzene Photochemistry**
(Wiley, 2023)Theoretical evidence concerning the multiradicaloid character in benzene photochemistry is reported based on a topological analysis of the correlated electron localization function. The bonding implications of triradicaloid ... -
Positron annihilation and binding in aromatic and other ring molecules
(2024)Measured annihilation spectra are presented for aromatic and heterocyclic ring molecules resolved as a function of incident positron energy using a trap-based positron beam. Comparisons with the vibrational mode spectra ... -
Chiroptically active quantum nanonails
(2024)In recent years, extensive research efforts have been dedicated to the investigation of CdSe/CdS-based quantum-confined nanostructures, driven by their distinctive properties. The morphologies of these nanostructures have ... -
Quasi-bound states in the continuum for electromagnetic induced transparency and strong excitonic coupling
(2024)Advancing on previous reports, we utilize quasi-bound states in the continuum (q-BICs) supported by a metasurface of TiO2 meta-atoms with broken inversion symmetry on an SiO2 substrate, for two possible applications. ... -
Droplet Dynamics of Graphene Oxide Suspensions
(Trinity College Dublin. School of Physics. Discipline of Physics, School of Physics, 2024)The emergence of printed electronics as an application of Drop on Demand (DoD) inkjet printing has highlighted the importance of understanding the dynamics of this process for non-Newtonian fluids. From jetting to droplet ... -
New insights from a bonding evolution theory based on the topological analysis of the electron localization function
(Elsevier, 2023)This chapter reviews some basic ideas behind the so-called bonding evolution theory (BET) framework, i.e., the combined topological analysis of the electron localization function (ELF) and Thom's catastrophe theory. ... -
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 ... -
Real-World Urban Light Emission Functions and Quantitative Comparison with Spacecraft Measurements
(2023)We provide quantitative results from GIS-based modelling of urban emission functions for a range of representative low- and mid-rise locations, ranging from individual streets to residential communities within cities, as ... -
Ab initio study of alkali-metal-based bismuth selenides (A BiSe2; A = K, Na) for photovoltaic and thermoelectric applications
(2024)Iron pentacarbonyl (IPC) gas forms upon the reaction of carbon monoxide with Fe containing metallic surfaces under gas reforming conditions. IPC formation can sometimes reach alarming levels that cause metal loss, pipeline ... -
Monitoring and Modelling Geomagnetic and Geoelectric Fields in Ireland
(Trinity College Dublin. School of Physics. Discipline of Physics, Trinity College Dublin, School of Physics, 2024)Geomagnetic storms form in response to the arrival of solar storms at the Earth, which interact with the Earth's magnetic field and can lead to geomagnetic storms. Magnetic field variations generated during geomagnetic ... -
Plasmonic interactions of gold nanoparticles with photoluminescent materials
(Trinity College Dublin. School of Physics. Discipline of Physics, 2024)The variable plasmonic resonances of metal nanoparticles have many applications across a wide range of fields, including the modification of the emission of photoluminescent materials. The plasmonic interactions of gold ... -
Hemicellulose pyrolysis: mechanism and kinetics of functionalized xylopyranose
(2024)This work analyzes the thermochemical kinetic influence of the most prominent functionalizations of the β-d-xylopyranose motif, specifically 4-methoxy, 5-carboxyl, and 2-O-acetyl, regarding the pyrolytic depolymerization ... -
Surface Studies of Niobium Oxides
(Trinity College Dublin. School of Physics. Discipline of Physics, 2024)In this thesis, two important niobium-oxygen systems are studied. The first system is the NbO "nanocrystal" termination of Nb(110). A new model to explain this structure based on a monolayer of oxygen covering the surface ... -
Thermometry by correlated dephasing of impurities in a one-dimensional Fermi gas
(2024)We theoretically investigate the pure dephasing dynamics of two static impurity qubits embedded within a common environment of ultracold fermionic atoms, which are confined to one spatial dimension. Our goal is to ...
