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Professor Ivana Evans' Outputs (105)

Insight into Design of Improved Oxide Ion Conductors: Dynamics and Conduction Mechanisms in the Bi0.913V0.087O1.587 Solid Electrolyte (2019)
Journal Article
Peet, J. R., Fuller, C. A., Frick, B., Koza, M. M., Johnson, M. R., Piovano, A., & Evans, I. R. (2019). Insight into Design of Improved Oxide Ion Conductors: Dynamics and Conduction Mechanisms in the Bi0.913V0.087O1.587 Solid Electrolyte. Journal of the American Chemical Society, 141(25), 9989-9997. https://doi.org/10.1021/jacs.9b03743

Extensive quasielastic neutron scattering measurements have been used to directly observe oxide ion dynamics on the nanosecond timescale in bismuth vanadate with formula Bi0.913V0.087O1.587, which exhibits remarkable oxide ion conductivity at low tem... Read More about Insight into Design of Improved Oxide Ion Conductors: Dynamics and Conduction Mechanisms in the Bi0.913V0.087O1.587 Solid Electrolyte.

Single-Phase White-Emitting Phosphors Based on Apatite-Type Gadolinium Silicate, Gd9.33(SiO4)6O2 Doped with Dy3+, Eu3+ and Tb3+ (2019)
Journal Article
Rodriguez-Garcia, M. M., Williams, J. G., & Evans, I. R. (2019). Single-Phase White-Emitting Phosphors Based on Apatite-Type Gadolinium Silicate, Gd9.33(SiO4)6O2 Doped with Dy3+, Eu3+ and Tb3+. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(25), 7779-7787. https://doi.org/10.1039/c9tc02336d

Two series of new apatite-type silicate materials were synthesised and characterised with the aim of achieving white light emission from single-phase phosphors. The Gd9.33(SiO4)6O2 host was doped systematically with Dy3+, Tb3+ and Eu3+ to tune the em... Read More about Single-Phase White-Emitting Phosphors Based on Apatite-Type Gadolinium Silicate, Gd9.33(SiO4)6O2 Doped with Dy3+, Eu3+ and Tb3+.

Super-colossal uniaxial negative thermal expansion in chloranilic acid pyrazine, CA-Pyz (2019)
Journal Article
Liu, H., Gutmann, M. J., Stokes, H. T., Campbell, B. J., Evans, I. R., & Evans, J. S. (2019). Super-colossal uniaxial negative thermal expansion in chloranilic acid pyrazine, CA-Pyz. Chemistry of Materials, 31(12), 4514-4523. https://doi.org/10.1021/acs.chemmater.9b01135

There has been significant recent interest in exploiting the large dimension changes that can occur in molecular materials as a function of temperature, stress or under optical illumination. Here we report the remarkable thermal expansion properties... Read More about Super-colossal uniaxial negative thermal expansion in chloranilic acid pyrazine, CA-Pyz.

Cation distributions and anion disorder in Ba3NbMO8.5 (M = Mo, W) materials: Implications for oxide ion conductivity (2019)
Journal Article
Auckett, J. E., Milton, K. L., & Evans, I. R. (2019). Cation distributions and anion disorder in Ba3NbMO8.5 (M = Mo, W) materials: Implications for oxide ion conductivity. Chemistry of Materials, 31(5), 1715-1719. https://doi.org/10.1021/acs.chemmater.8b05179

Competitive oxide ion conductivity has been identified recently in members of the Ba3Nb1–y(Mo1– xWx)1+yO8.5+½y (0 ≤ x ≤ 1, –0.3 ≤ y ≤ 0.2) series, which adopt a disordered rhombohedral “hybrid” structure combining features of the 9R perovskite and pa... Read More about Cation distributions and anion disorder in Ba3NbMO8.5 (M = Mo, W) materials: Implications for oxide ion conductivity.

Variable-temperature multinuclear solid-state NMR study of oxide ion dynamics in fluorite-type bismuth vanadate and phosphate solid electrolytes (2019)
Journal Article
Dunstan, M. T., Halat, D. M., Tate, M. L., Evans, I. R., & Grey, C. P. (2019). Variable-temperature multinuclear solid-state NMR study of oxide ion dynamics in fluorite-type bismuth vanadate and phosphate solid electrolytes. Chemistry of Materials, 31(5), 1704-1714. https://doi.org/10.1021/acs.chemmater.8b05143

Ionic-conducting materials are crucial for the function of many advanced devices used in a variety of applications, such as fuel cells and gas separation membranes. Many different chemical controls, such as aliovalent doping, have been attempted to s... Read More about Variable-temperature multinuclear solid-state NMR study of oxide ion dynamics in fluorite-type bismuth vanadate and phosphate solid electrolytes.

Evidence of continuous pottery production during the late Byzantine period in the Studenica Monastery, a UNESCO World Heritage Site (2019)
Journal Article
Stojanović, S., Bikić, V., Miličić, L., Radosavljević Evans, I., Scarlett, N. V. Y., Brand, H. E. A., & Damjanović-Vasilić, L. (2019). Evidence of continuous pottery production during the late Byzantine period in the Studenica Monastery, a UNESCO World Heritage Site. Microchemical Journal, 146, 557-567. https://doi.org/10.1016/j.microc.2019.01.056

A collection of 63 pottery shards excavated at the Studenica Monastery, Serbia, originating from two distinct cultural strata (late 12th until the late 13th century, and the 14th and the first half of 15th century) was subject of this work. Mineralog... Read More about Evidence of continuous pottery production during the late Byzantine period in the Studenica Monastery, a UNESCO World Heritage Site.

Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis (2018)
Journal Article
Liu, H., Zhang, W., Halasyamani, P. S., Stokes, H. T., Campbell, B. J., Evans, J. S. O., & Evans, I. R. (2018). Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis. Journal of the American Chemical Society, 140(41), 13441-13448. https://doi.org/10.1021/jacs.8b08591

The exploitable properties of many functional materials are intimately linked with symmetry-changing phase transitions. These include properties such as ferroelectricity, second harmonic generation, conductivity, magnetism and many others. We describ... Read More about Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis.

Dynamics in Bi(III)-containing Apatite-Type Oxide Ion Conductors: A Combined Computational and Experimental Study (2018)
Journal Article
Peet, J. R., Chambers, M. S., Piovano, A., Johnson, M., & Evans, I. R. (2018). Dynamics in Bi(III)-containing Apatite-Type Oxide Ion Conductors: A Combined Computational and Experimental Study. Journal of Materials Chemistry A: materials for energy and sustainability, 6(12), 5129-5135. https://doi.org/10.1039/c8ta00546j

Introduction of Bi(III) into apatite-type germanate oxide ion conductors can improve the conductivity by up to two orders of magnitude. To account for these experimental findings, we have carried out the first ab initio molecular dynamics simulations... Read More about Dynamics in Bi(III)-containing Apatite-Type Oxide Ion Conductors: A Combined Computational and Experimental Study.

Archaeometric study of 17th/18th century painted pottery from the Belgrade Fortress (2018)
Journal Article
Gajić-Kvaščev, M., Bikić, V., Wright, V. J., Radosavljević Evans, I., & Damjanović-Vasilić, L. (2018). Archaeometric study of 17th/18th century painted pottery from the Belgrade Fortress. Journal of Cultural Heritage, 32, 9-21. https://doi.org/10.1016/j.culher.2018.01.018

The chemical and mineralogical composition of ceramic bodies, glazes and pigments, as well as the firing temperatures of main groups of Austrian period painted pottery excavated at the Belgrade Fortress on the territory of Serbia, two groups of Malho... Read More about Archaeometric study of 17th/18th century painted pottery from the Belgrade Fortress.

Stability and range of the type II Bi 1−x W x O 1.5+1.5x solid solution (2017)
Journal Article
Wind, J., Kayser, P., Zhang, Z., Radosavljevic Evans, I., & Ling, C. D. (2017). Stability and range of the type II Bi 1−x W x O 1.5+1.5x solid solution. Solid State Ionics, 308, 173-180. https://doi.org/10.1016/j.ssi.2017.07.015

We have established the stability and range of the cubic type II phase of Bi1 − xWxO1.5 + 1.5x using a combination of X-ray diffraction, neutron diffraction and X-ray absorption spectroscopy. Type II is a high temperature modification that can be obt... Read More about Stability and range of the type II Bi 1−x W x O 1.5+1.5x solid solution.

Direct Observation of Oxide Ion Dynamics in La2Mo2O9 on the Nanosecond Timescale (2017)
Journal Article
Peet, J. R., Fuller, C. A., Frick, B., Zbiri, M., Piovano, A., Johnson, M. R., & Radosavljevic Evans, I. (2017). Direct Observation of Oxide Ion Dynamics in La2Mo2O9 on the Nanosecond Timescale. Chemistry of Materials, 29(7), 3020-3028. https://doi.org/10.1021/acs.chemmater.6b05507

Quasielastic neutron scattering (QENS), underpinned by ab-initio molecular dynamics (AIMD) simulations, has been used to directly observe oxide ion dynamics in solid electrolyte La2Mo2O9 on the nanosecond timescale, the longest timescale probed in ox... Read More about Direct Observation of Oxide Ion Dynamics in La2Mo2O9 on the Nanosecond Timescale.

New Apatite-Type Oxide Ion Conductor, Bi2La8[(GeO4)6]O3: Structure, Properties, and Direct Imaging of Low-Level Interstitial Oxygen Atoms Using Aberration-Corrected Scanning Transmission Electron Microscopy (2017)
Journal Article
Tate, M. L., Blom, D. A., Avdeev, M., Brand, H. E., McIntyre, G. J., Vogt, T., & Evans, I. R. (2017). New Apatite-Type Oxide Ion Conductor, Bi2La8[(GeO4)6]O3: Structure, Properties, and Direct Imaging of Low-Level Interstitial Oxygen Atoms Using Aberration-Corrected Scanning Transmission Electron Microscopy. Advanced Functional Materials, 27(8), Article 1605625. https://doi.org/10.1002/adfm.201605625

The new solid electrolyte Bi2La8[(GeO4)6]O3 is prepared and characterized by variable-temperature synchrotron X-ray and neutron diffraction, aberration-corrected scanning transmission electron microscopy, and physical property measurements (impedance... Read More about New Apatite-Type Oxide Ion Conductor, Bi2La8[(GeO4)6]O3: Structure, Properties, and Direct Imaging of Low-Level Interstitial Oxygen Atoms Using Aberration-Corrected Scanning Transmission Electron Microscopy.

An Exhaustive Symmetry Approach to Structure Determination: Phase Transitions in Bi2Sn2O7 (2016)
Journal Article
Lewis, J. W., Payne, J. L., Evans, I. R., Stokes, H. T., Campbell, B. J., & Evans, J. S. (2016). An Exhaustive Symmetry Approach to Structure Determination: Phase Transitions in Bi2Sn2O7. Journal of the American Chemical Society, 138(25), 8031-8042. https://doi.org/10.1021/jacs.6b04947

The exploitable properties of many materials are intimately linked to symmetry-lowering structural phase transitions. We present an automated and exhaustive symmetry-mode method for systematically exploring and solving such structures which will be w... Read More about An Exhaustive Symmetry Approach to Structure Determination: Phase Transitions in Bi2Sn2O7.

Na+ mobility in sodium strontium silicate fast ion conductors (2015)
Journal Article
Peet, J. R., Widdifield, C. M., Apperley, D. C., Hodgkinson, P., Johnson, M. R., & Evans, I. R. (2015). Na+ mobility in sodium strontium silicate fast ion conductors. Chemical Communications, 51(96), 17163-17165. https://doi.org/10.1039/c5cc06644a

We present the first direct evidence of Na-ion mobility in sodium strontium silicate fast ion conductors, based on variable temperature 23Na solid state NMR spectroscopy and spin-lattice relaxation measurements.

A furosemide – isonicotinamide cocrystal: An investigation of properties and extensive structural disorder (2015)
Journal Article
Kerr, H. E., Softley, L. K., Kuthuru, S., Nangia, A., Hodgkinson, P., & Evans, I. R. (2015). A furosemide – isonicotinamide cocrystal: An investigation of properties and extensive structural disorder. CrystEngComm, 17(35), 6707-6715. https://doi.org/10.1039/c5ce01183c

Furosemide is a loop diuretic drug marketed in solid form which suffers from low solubility and low permeability. The pharmaceutically relevant properties of a recently described furosemide-isonicotinamide 2:1 cocrystal (2FS-INA) were investigated an... Read More about A furosemide – isonicotinamide cocrystal: An investigation of properties and extensive structural disorder.

Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure (2015)
Journal Article
Nunes, S. E., Wang, C.-H., So, K., Evans, J. S., & Evans, I. R. (2015). Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure. Journal of Solid State Chemistry, 222, 12-17. https://doi.org/10.1016/j.jssc.2014.10.036

We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laborator... Read More about Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure.

Niclosamide Methanol Solvate and Niclosamide Hydrate: Structure, Solvent Inclusion Mode and Implications for Properties (2014)
Journal Article
Harriss, B., Wilson, C., & Evans, I. R. (2014). Niclosamide Methanol Solvate and Niclosamide Hydrate: Structure, Solvent Inclusion Mode and Implications for Properties. Acta Crystallographica Section C: Structural Chemistry, 70(8), 758-763. https://doi.org/10.1107/s2053229614015496

Structural studies have been carried out of two solid forms of niclosamide [5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, NCL], a widely used anthelmintic drug, namely niclosamide methanol monosolvate, C13H8Cl2N2O4·CH3OH or NCL·MeOH, and ni... Read More about Niclosamide Methanol Solvate and Niclosamide Hydrate: Structure, Solvent Inclusion Mode and Implications for Properties.

Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties (2014)
Journal Article
Harriss, B. I., Vella-Zarb, L., Wilson, C., & Radosavljevic Evans, I. (2014). Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties. Crystal Growth and Design, 14(2), 783-791. https://doi.org/10.1021/cg401662d

Four new crystal structures of pharmaceutical molecule furosemide with GRAS coformers are reported and correlated with the known pharmacologically relevant properties of these materials. Furosemide carboxylic acid oxygen donor−coformer aromatic nitro... Read More about Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties.

From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7 (2013)
Journal Article
Payne, J., Tucker, M., & Evans, I. R. (2013). From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7. Journal of Solid State Chemistry, 205, 29-34. https://doi.org/10.1016/j.jssc.2013.07.001

The structural characterisation of Nd2Zr2O7 prepared via a precursor route was performed using a combination of local and average structure probes (neutron total scattering, X-ray and neutron diffraction). We present the first total scattering and re... Read More about From Fluorite to Pyrochlore: Characterisation of Local and Average Structure of Neodymium Zirconate, Nd2Zr2O7.