https://ogma.newcastle.edu.au/vital/access/ /manager/Index en-au 5 Applications of neutron powder diffraction https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5726 Wed 24 Jul 2013 22:56:18 AEST ]]> The Hubbard-U correction and optical properties of d⁰ metal oxide photocatalysts https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:42677 Thu 18 Apr 2024 10:11:04 AEST ]]> Optical properties and oxidation of alpha-phase Ag-Al thin films https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:31514 Sat 24 Mar 2018 08:44:17 AEDT ]]> First-principles study of the electronic, optical and bonding properties in dolomite https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:12461 Sat 24 Mar 2018 08:17:50 AEDT ]]> Electronic and optical properties of anatase TiO₂ nanotubes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:9886 Sat 24 Mar 2018 08:12:47 AEDT ]]> Strategies to control the spectral properties of Au-Ni thin films https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:21487 Sat 24 Mar 2018 08:03:36 AEDT ]]> First-principles calculations of a corrugated anatase TiO₂ surface https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:21765 Sat 24 Mar 2018 07:53:07 AEDT ]]> Optical properties of anatase and rutile titanium dioxide: ab initio calculations for pure and anion-doped material https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:5444 Sat 24 Mar 2018 07:48:09 AEDT ]]> Structural, electronic and optical properties of titania nanotubes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22596 Sat 24 Mar 2018 07:15:59 AEDT ]]> A Review of Alkali Tungsten Bronze Nanoparticles for Applications in Plasmonics https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:50604 Mon 31 Jul 2023 12:15:50 AEST ]]> Crystal structures, electrical properties, and electron energy-loss spectroscopy of the sodium and potassium tetragonal tungsten bronzes https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:38283 xWO3) are non-stoichiometric metal oxides which have attracted interest for their potential applications in plasmonics. Although the cubic structures of the sodium tungsten bronzes (NaxWO3) have been extensively studied, reports into the tetragonal-II structures (TII-) of any tungsten bronze are comparatively rare. In this work, TII-NaxWO3 and TII-KxWO3 were prepared by a furnace-assisted method, and characterised by X-ray and neutron powder diffraction, selected-area electron diffraction and electron energy-loss spectroscopy (EELS). A structural determination of TII-NaxWO3 was performed in the space group >I4∕m, in a √2 ✕ √2 ✕ 2 supercell of the P4∕mbm TII-KxWO3 structure. Density functional theory is then used to calculate the valence electronic structure and optical properties to support the EELS measurements. Similar to the cubic structures, the conduction band of TII- is composed of hybridised O 2p and W 5d states, which is filled by electrons donated from the inserted Na or K. The O sites which are in-plane with the W sites are found to have highly localised bands, resulting in low-energy interband transitions in the a∕b direction of the unit cell. In contrast, purely free-electron behaviour is observed in the c-direction below 2 eV. High-quality plasmon resonances are thus only observed in the c-direction, with energy and quality similar to those of the cubic structures. These anisotropic optical properties make TII-NaxWO3 and TII-KxWO3 interesting materials for further study as potential plasmonic materials.]]> Mon 29 Jan 2024 18:47:32 AEDT ]]> A TDDFT study of the optical absorption spectra of gold and silver clusters https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:12404 Fri 07 Dec 2018 15:50:08 AEDT ]]>