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ANSTO Publications Online

Welcome to the ANSTO Institutional Repository known as APO.

The APO database has been migrated to version 8.3. The functionality has changed, but the content remains the same.

ANSTO Publications Online is a digital repository for publications authored by ANSTO staff since 2007. The Repository also contains ANSTO Publications, such as Reports and Promotional Material. ANSTO publications prior to 2007 continue to be added progressively as they are in identified in the library. ANSTO authors can be identified under a single point of entry within the database. The citation is as it appears on the item, even with incorrect spelling, which is marked by (sic) or with additional notes in the description field.

If items are only held in hardcopy in the ANSTO Library collection notes are being added to the item to identify the Dewey Call number: as DDC followed by the number.

APO will be integrated with the Research Information System which is currently being implemented at ANSTO. The flow on effect will be permission to publish, which should allow pre-prints and post prints to be added where content is locked behind a paywall. To determine which version can be added to APO authors should check Sherpa Romeo. ANSTO research is increasingly being published in open access due mainly to the Council of Australian University Librarians read and publish agreements, and some direct publisher agreements with our organisation. In addition, open access items are also facilitated through collaboration and open access agreements with overseas authors such as Plan S.

ANSTO authors are encouraged to use a CC-BY licence when publishing open access. Statistics have been returned to the database and are now visible to users to show item usage and where this usage is coming from.

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Recent Submissions

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    Liquid metal‐enabled tunable synthesis of nanoporous polycrystalline copper for selective CO2‐to‐formate electrochemical conversion
    (Wiley, 2024-12-05) Zhong, WY; Chi, Y; Yu, RH; Kong, C; Zhou, SJ; Han, C; Vongsvivut, JP; Mao, GZ; Kalantar‐Zadeh, K; Amal, R; Tang, JB; Lu, XY
    Copper-based catalysts exhibit high activity in electrochemical CO2 conversion to value-added chemicals. However, achieving precise control over catalysts design to generate narrowly distributed products remains challenging. Herein, a gallium (Ga) liquid metal-based approach is employed to synthesize hierarchical nanoporous copper (HNP Cu) catalysts with tailored ligament/pore and crystallite sizes. The nanoporosity and polycrystallinity are generated by dealloying intermetallic CuGa2 formed after immersing pristine Cu foil in liquid Ga in a basic or acidic solution. The liquid metal-based approach allows for the transformation of monocrystalline Cu to the polycrystalline HNP Cu with enhanced CO2 reduction reaction (CO2RR) performance. The dealloyed HNP Cu catalyst with suitable crystallite size (22.8 nm) and nanoporous structure (ligament/pore size of 45 nm) exhibits a high Faradaic efficiency of 91% toward formate production under an applied potential as low as −0.3 VRHE. The superior CO2RR performance can be ascribed to the enlarged electrochemical catalytic surface area, the generation of preferred Cu facets, and the rich grain boundaries by polycrystallinity. This work demonstrates the potential of liquid metal-based synthesis for improving catalysts performance based on structural design, without increasing compositional complexity. © 2024 The Author(s). Small published by Wiley-VCH GmbH.
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    Palaeoclimatic support for the Pleistocene 'superhighway' through central Australia
    (Australasian Research Cluster for Archaeological Science, 2024-05-27) Gould-Whaley, C; Drysdale, RN; Treble, PC; May, JH; Hellstrom, JC
    Our understanding of the climatic conditions faced by humans upon arrival in Australia is both temporally and spatially fragmented. A cave in the Ikara-Flinders Ranges contains speleothems that shed light on the palaeohydrology of Australia’s southern arid margin through the Last Glacial Period. The timing of speleothem growth phases suggests there were three multi-millennial periods where the region experienced a more positive water balance, each of which aligns with Southern Hemisphere summer insolation maxima. This implies that moisture delivery was governed by the strength and/or latitudinal position of the Indo-Australian Summer Monsoon, meaning the continental interior to the north of the cave site would also be receiving monsoonal rainfall. These findings support the proposed ‘superhighway’ through central Australia (Crabtree et al. 2020; Bradshaw et al. 2023). A period of especially high moisture availability coincides with the earliest evidence of human presence at the Warratyi shelter, 250 km north of the cave site (Hamm et al. 2016).
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    A semiempirical Hartree-Fock approach to solid-state calculations for inelastic neutron scattering
    (Australian Institute of Physics, 2024-02-06) Stampfl, APJ
    The scattering function, S(Q,ω), representing the interaction between the incident neutron and the pseudopotential, representing an ensemble of atoms, may be determined in a variety of ways: Via classical force-field approaches, through electronic structure calculations, through analytical approaches and through a combination of one or both of the first two approaches and applying molecular dynamics to study systems under non-equilibrium conditions. Electronic structure calculations quickly become computationally intensive and opaque once more than several hundred atoms are involved in a cluster or unit cell that represents the system under investigation. In the case of neutron spectroscopy many systems investigated are dominated by hydrogen vibrations as the total scattering coefficient, total~82 Barn is approximately an order of magnitude larger than most total scattering coefficients from other elements. Scatter from hydrogen is mainly incoherent and therefore may be considered localised allowing potentially simple molecular models to be employed in the study of hydrogenous materials. Here, a well known Hartree-Fock semi-empirical calculation scheme is presented that is lightning fast for small molecules and adequate for large molecules, clusters, and dynamical studies. Force constants are obtained by diagonalisation of the mass-weighted Hessian matrix to obtain the vibrational frequency for each mode assuming that each atomic-pair vibrates in a simpleharmonic fashion. The scattering function, S(Q, ω), is then calculated firstly assuming a oneatom oscillator, then secondly more thoroughly for each atom-pair vibration within the molecule/cluster, and finally as a weighted phonon density of states. A number of benchmark molecules are reported on. Interestingly, these rapid calculations give a very good estimation of the scattering function that can be used for initial peak identification and further analysis of the detailed electronic and vibrational structure.
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    The unique lattice dynamics of nanodiamond - a molecular dynamics and inelastic neutron scattering investigation
    (Australian Institute of Physics, 2024-02-06) Stamper, CJ; Galaviz, P; Rule, KC; Bake, A; Portwin, K; Jin, S; Fan, X; Baggioli, M; Yu, DH; Cortie, DL
    Nanoparticles exhibit remarkable properties owing to their size-dependent quantum effects and high surface-to-volume ratio. Among such particles, carbon-based nanoparticles stand out for their diverse and extreme properties. In particular, nanodiamond has gained a lot of attention due to its combination of extremely high surface-to-volume ratio (due to confinement in 3 dimensions), unique thermal, optical, and structural properties, and biocompatibility. Most recently, nitrogen-vacancy (NV) centres in nanodiamond have captivated the attention of researchers due to their potential use in quantum sensing, nanoscale imaging, thermometry, and more. Controlling and harnessing the intrinsic lattice vibrations (i.e., phonons) in nanodiamond, including their interaction with NV centres, is essential for advancing the capabilities of nanodiamond-based technologies. To aid in the advancement of these technologies, we set out to provide a detailed description of the unique lattice dynamics of nanodiamonds through a synergistic approach involving inelastic neutron scattering (INS) and molecular dynamics (MD) simulations. This presentation highlights the observed distinctive vibrational modes available to nanodiamonds, compared with bulk diamond. Specifically, in our MD simulations, we observe the shifting and broadening of phonon modes in energy (acoustic and optical), excess vibrational modes at low energies leading to a deviation from a Debye relationship in the density of states, and excess vibrational modes at energies above the observed optical phonons. Many of these features are confirmed by INS measurements performed on Pelican. Our work underscores the significance of comprehending size-dependent lattice dynamics for harnessing the full potential of nanodiamonds in diverse technological application
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    Measurement of the 30Si mole fraction in the new Avogadro silicon material by neutron activation and high-resolution γ‑spectrometry
    (American Chemical Society (ACS), 2017-05-18) Di Luzio, M; Stopic, A; D’Agostino, G; Bennett, JW; Mana, G; Oddone, M; Pramann, A
    The use of new silicon single crystals highly enriched in 28Si recently produced for the upcoming redetermination of the Avogadro constant requires knowledge of their molar masses. The isotopic composition data are collected independently in different laboratories but all using the virtual element technique with multicollector inductively coupled plasma mass spectrometers. In this framework, the comparison of the results with an independent measurement of the amount of at least one of the depleted isotopes is useful to limit hidden systematic errors. To this aim, the 30Si mole fraction of a sample of the new material was measured using a relative measurement protocol based on instrumental neutron activation analysis. The protocol is similar to that previously applied with the AVO28 silicon material used for the last determination of the Avogadro constant value with the exception that unknown and standard samples are not coirradiated. The x(30Si) = 5.701 × 10-7 mol mol-1 estimate is close to the expected one and is given with a standard uncertainty of 8.8 × 10-9 mol mol-1. This value, if adopted, gives a contribution to the relative standard uncertainty of the Avogadro constant of 6.3 × 10-10.