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Professor Ivana Evans' Outputs (104)

Eu3+- activated Sr2GdF7 colloid and nano-powder for horticulture LED applications (2024)
Journal Article
Milićević, B., Ćirić, A., Ristić, Z., Medić, M., Evans, I. R., Alodhayb, A. N., Antić, Ž., & Dramićanin, M. D. (2025). Eu3+- activated Sr2GdF7 colloid and nano-powder for horticulture LED applications. Journal of Alloys and Compounds, 1010, Article 177820. https://doi.org/10.1016/j.jallcom.2024.177820

A series of multifunctional Sr2Gd1-xEuxF7 (x = 0, 0.05, 0.10, 0.40, 0.60. 0.80, and 1.00) phosphors in stable colloidal form and as nanopowders have been prepared using a hydrothermal method. Powder X-ray diffraction analysis confirmed that the mater... Read More about Eu3+- activated Sr2GdF7 colloid and nano-powder for horticulture LED applications.

Unravelling Guest Dynamics in Crystalline Molecular Organics Using 2 H Solid-State NMR and Molecular Dynamics Simulation (2024)
Journal Article
Erastova, V., Evans, I. R., Glossop, W. N., Guryel, S., Hodgkinson, P., Kerr, H. E., Oganesyan, V. S., Softley, L. K., Wickins, H. M., & Wilson, M. R. (2024). Unravelling Guest Dynamics in Crystalline Molecular Organics Using 2 H Solid-State NMR and Molecular Dynamics Simulation. Journal of the American Chemical Society, 146(27), 18360-18369. https://doi.org/10.1021/jacs.4c03246

2H solid-state NMR and atomistic molecular dynamics (MD) simulations are used to understand the disorder of guest solvent molecules in two cocrystal solvates of the pharmaceutical furosemide. Traditional approaches to interpreting the NMR data fail t... Read More about Unravelling Guest Dynamics in Crystalline Molecular Organics Using 2 H Solid-State NMR and Molecular Dynamics Simulation.

Computational Insights into Dion–Jacobson Type Oxide Ion Conductors (2024)
Journal Article
Schwaighofer, B., Gonzalez, M. A., & Evans, I. R. (2024). Computational Insights into Dion–Jacobson Type Oxide Ion Conductors. Journal of Physical Chemistry C, 128(22), 8894-8899. https://doi.org/10.1021/acs.jpcc.4c01166

Dion–Jacobson type materials have recently emerged as a new structural family of oxide ion conductors, materials important for applications in a variety of electrochemical devices. While some attempts to improve their ionic conductivity have been rep... Read More about Computational Insights into Dion–Jacobson Type Oxide Ion Conductors.

Oxide ion dynamics in hexagonal perovskite mixed conductor Ba 7 Nb 4 MoO 20: a comprehensive ab initio molecular dynamics study (2024)
Journal Article
Schwaighofer, B., Appel, M., Gonzalez, M. A., & Radosavljevic Evans, I. (2024). Oxide ion dynamics in hexagonal perovskite mixed conductor Ba 7 Nb 4 MoO 20: a comprehensive ab initio molecular dynamics study. Materials Advances, 5(4), 1676-1682. https://doi.org/10.1039/d3ma00955f

Hexagonal perovskite Ba7Nb4MoO20-related materials are very promising solid electrolytes with high oxide ion conductivity and redox stability, making them potentially applicable in solid oxide fuel cells. Optimizing the properties of this family of m... Read More about Oxide ion dynamics in hexagonal perovskite mixed conductor Ba 7 Nb 4 MoO 20: a comprehensive ab initio molecular dynamics study.

Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics (2023)
Journal Article
Schwaighofer, B., Gonzalez, M. A., Appel, M., Koza, M. M., & Evans, I. R. (2023). Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics. Chemistry of Materials, 35(3), 1125-1133. https://doi.org/10.1021/acs.chemmater.2c03103

We report the direct observation of oxide ion dynamics on both nano- and picosecond timescales in the isostructural Bi2O3-derived solid electrolytes Bi0.852V0.148O1.648 and Bi0.852P0.148O1.648 using quasielastic neutron scattering. Comprehensive ab i... Read More about Oxide Ion Mobility in V- and P-doped Bi2O3-Based Solid Electrolytes: Combining Quasielastic Neutron Scattering with Ab Initio Molecular Dynamics.

Mn5+-activated Ca6Ba(PO4)4O near-infrared phosphor and its application in luminescence thermometry (2022)
Journal Article
Dramićanin, M. D., Marciniak, Ł., Kuzman, S., Piotrowski, W., Ristić, Z., Periša, J., Evans, I., Mitrić, J., Đorđević, V., Romčević, N., Brik, M. G., & Ma, C.-G. (2022). Mn5+-activated Ca6Ba(PO4)4O near-infrared phosphor and its application in luminescence thermometry. Light: Science and Applications, 11, Article 279. https://doi.org/10.1038/s41377-022-00958-7

The near-infrared luminescence of Ca6Ba(PO4)4O:Mn5+ is demonstrated and explained. When excited into the broad and strong absorption band that spans the 500–1000 nm spectral range, this phosphor provides an ultranarrow (FWHM = 5 nm) emission centered... Read More about Mn5+-activated Ca6Ba(PO4)4O near-infrared phosphor and its application in luminescence thermometry.

Dual-emission luminescence thermometry using LaGaO3:Cr3+, Nd3+ phosphors (2022)
Journal Article
Mullins, A. L., Ćirić, A., Zekovic, I., Williams, J. G., Dramicanin, M., & Evans, I. R. (2022). Dual-emission luminescence thermometry using LaGaO3:Cr3+, Nd3+ phosphors. Journal of Materials Chemistry C Materials for optical and electronic devices, 10(28), 10396-10403. https://doi.org/10.1039/d2tc02011d

A series of La1-xGa0.99O3: Cr0.01, Ndx phosphors (where x = 0.005, 0.01, 0.02) for luminescence thermometry have been synthesised by a solid-state method, structurally characterised using powder X-ray diffraction data, and investigated by ambient and... Read More about Dual-emission luminescence thermometry using LaGaO3:Cr3+, Nd3+ phosphors.

Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity (2022)
Journal Article
Fuller, C. A., Gutmann, M. J., Ling, C. D., Wang, C.-H., Zhang, W., Halasyamani, P. S., Evans, I. R., & Evans, J. S. (2022). Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity. Journal of Materials Chemistry A: materials for energy and sustainability, 10(27), https://doi.org/10.1039/d2ta02328h

The structure and composition of La-silicate apatite oxide ion conductor, La10Si6O27, in which the types of defects it contains are controversial, has been thoroughly investigated. Large crystals were grown using the floating zone method, and their s... Read More about Defects and disorder in apatite-type silicate oxide ion conductors: implications for conductivity.

Oxide ion conductivity, proton conductivity and phase transitions in perovskite-derived Ba3–xSrxYGa2O7.5 0  x  3 materials (2022)
Journal Article
Fuller, C. A., Murrell, J. I., Blom, D. A., Vogt, T., Zhang, W., Halasyamani, P. S., Radosavljevic Evans, I., & Evans, J. S. (2022). Oxide ion conductivity, proton conductivity and phase transitions in perovskite-derived Ba3–xSrxYGa2O7.5 0  x  3 materials. Chemistry of Materials, 34(7), 3185-3196. https://doi.org/10.1021/acs.chemmater.1c04372

We report the synthesis, structural characterization, oxide ion and proton conductivities of the perovskite-related Ba3–xSrxYGa2O7.5 family. Single-phase samples are prepared for 0  x  3 and show a complex structural evolution from P2/c to C2 space... Read More about Oxide ion conductivity, proton conductivity and phase transitions in perovskite-derived Ba3–xSrxYGa2O7.5 0  x  3 materials.

Double-deconvolution method for the separation of thermalised emissions from chromium-doped lanthanum gallate and its potential in luminescence-based thermometry (2022)
Journal Article
Mullins, A. L., Ćirić, A., Ristić, Z., Williams, J. G., Radosavljević Evans, I., & Dramićanin, M. D. (2022). Double-deconvolution method for the separation of thermalised emissions from chromium-doped lanthanum gallate and its potential in luminescence-based thermometry. Journal of Luminescence, 246, https://doi.org/10.1016/j.jlumin.2022.118847

A series of LaGa1–xO3:Cr3+x phosphors (x = 0.002, 0.005, 0.01, 0.02, 0.04) were synthesised by solid-state reaction and structurally characterised by Rietveld refinement from powder X-ray diffraction data. Amongst the five compounds, that with x = 0.... Read More about Double-deconvolution method for the separation of thermalised emissions from chromium-doped lanthanum gallate and its potential in luminescence-based thermometry.

Oxide Ion and Proton Conductivity in a Family of Highly Oxygen-Deficient Perovskite Derivatives (2021)
Journal Article
Fuller, C. A., Blom, D. A., Vogt, T., Radosavljevic Evans, I., & Evans, J. S. (2022). Oxide Ion and Proton Conductivity in a Family of Highly Oxygen-Deficient Perovskite Derivatives. Journal of the American Chemical Society, 144(1), 615-624. https://doi.org/10.1021/jacs.1c11966

Functional oxides showing high ionic conductivity have many important technological applications. We report oxide ion and proton conductivity in a family of perovskite-related compounds of the general formula A3OhTd2O7.5, where Oh is an octahedrally... Read More about Oxide Ion and Proton Conductivity in a Family of Highly Oxygen-Deficient Perovskite Derivatives.

Narrow-band red phosphors of high colour purity based on Eu3+-activated apatite-type Gd9.33(SiO4)6O2 (2021)
Journal Article
Rodriguez-Garcia, M. M., Ćirić, A., Ristić, Z., Williams, J. G., Dramicanin, M., & Evans, I. R. (2021). Narrow-band red phosphors of high colour purity based on Eu3+-activated apatite-type Gd9.33(SiO4)6O2. Journal of Materials Chemistry C Materials for optical and electronic devices, 9(23), 7474-7484. https://doi.org/10.1039/d1tc01330k

A series of new red phosphors based on apatite-type gadolinium silicate host, Gd9.33−xEux(SiO4)6O2 (0.03 < x < 1.87), have been synthesised and analysed. The phosphors show excellent chemical and thermal stability, losing only 10% of their emission i... Read More about Narrow-band red phosphors of high colour purity based on Eu3+-activated apatite-type Gd9.33(SiO4)6O2.

Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4 (2021)
Journal Article
Auckett, J. E., Lopez-Odriozola, L., Clark, S. J., & Radosavljevic Evans, I. (2021). Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4. Journal of Materials Chemistry A: materials for energy and sustainability, 9(7), 4091-4102. https://doi.org/10.1039/d0ta07453e

A number of metal oxides that crystallise in the scheelite structure type are known to be excellent oxide ion conductors. Here we report the synthesis of a series of materials with general formula LaNb1−xMoxO4+0.5x (x = 0, 0.08, 0.12, 0.16, 0.20) and... Read More about Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+ doping in LaNbO4.

Polymorph exploration of bismuth stannate using first-principles phonon mode mapping (2020)
Journal Article
Rahim, W., Skelton, J. M., Savory, C. N., Evans, I. R., Evans, J. S., Walsh, A., & Scanlon, D. O. (2020). Polymorph exploration of bismuth stannate using first-principles phonon mode mapping. Chemical Science, 11(30), 7904-7909. https://doi.org/10.1039/d0sc02995e

Accurately modelling polymorphism in crystalline solids remains a key challenge in computational chemistry. In this work, we apply a theoretically-rigorous phonon mode-mapping approach to understand the polymorphism in the ternary metal oxide Bi2Sn2O... Read More about Polymorph exploration of bismuth stannate using first-principles phonon mode mapping.

Oxide Ion and Proton Conductivity in Highly Oxygen-Deficient Cubic Perovskite SrSc0.3Zn0.2Ga0.5O2.4 (2020)
Journal Article
Fuller, C. A., Berrod, Q., Frick, B., Johnson, M. R., Avdeev, M., Evans, J. S. O., & Evans, I. R. (2020). Oxide Ion and Proton Conductivity in Highly Oxygen-Deficient Cubic Perovskite SrSc0.3Zn0.2Ga0.5O2.4. Chemistry of Materials, 32(10), 4347-4357. https://doi.org/10.1021/acs.chemmater.0c01378

A series of Zn-substituted compounds, Sr2Sc1–xZnxGaO5–0.5x, based on the brownmillerite-type oxide ion conductor Sr2ScGaO5 have been synthesized, and a single-phase region has been identified at 0.4 ≤ x < 0.6. The structure and dynamics of Sr2Sc0.6Zn... Read More about Oxide Ion and Proton Conductivity in Highly Oxygen-Deficient Cubic Perovskite SrSc0.3Zn0.2Ga0.5O2.4.

Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5: phase transition, temperature evolution of the local structure and properties (2019)
Journal Article
Chambers, M. S., McCombie, K. S., Auckett, J. E., McLaughlin, A. C., Irvine, J. T., Chater, P. A., Evans, J. S., & Evans, I. R. (2019). Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5: phase transition, temperature evolution of the local structure and properties. Journal of Materials Chemistry A: materials for energy and sustainability, 7(44), 25503-25510. https://doi.org/10.1039/c9ta08378b

Ba3NbMoO8.5 has recently been demonstrated to exhibit competitive oxide ion conductivity and to be stable under reducing conditions, making it an excellent potential electrolyte for solid oxide fuel cells. We report here the first investigation of th... Read More about Hexagonal perovskite related oxide ion conductor Ba3NbMoO8.5: phase transition, temperature evolution of the local structure and properties.

Average and Local Structure of Apatite-Type Germanates and Implications for Oxide Ion Conductivity (2019)
Journal Article
Chambers, M. S., Chater, P. A., Evans, I. R., & Evans, J. S. (2019). Average and Local Structure of Apatite-Type Germanates and Implications for Oxide Ion Conductivity. Inorganic Chemistry, 58(21), 14853-14862. https://doi.org/10.1021/acs.inorgchem.9b02544

Materials with the apatite structure have a range of important applications in which their function is influenced by details of their local structure. Here, we describe an average and local structural study to probe the origins of high-temperature ox... Read More about Average and Local Structure of Apatite-Type Germanates and Implications for Oxide Ion Conductivity.

Brownmillerite-type Sr2ScGaO5 Oxide Ion Conductor: Local Structure, Phase Transition and Dynamics (2019)
Journal Article
Fuller, C. A., Berrod, Q., Frick, B., Johnson, M. R., Clark, S. J., Evans, J. S., & Evans, I. R. (2019). Brownmillerite-type Sr2ScGaO5 Oxide Ion Conductor: Local Structure, Phase Transition and Dynamics. Chemistry of Materials, 31(18), 7395-7404. https://doi.org/10.1021/acs.chemmater.9b02051

Brownmillerite-type Sr2ScGaO5 has been investigated by a range of experimental X-ray and neutron scattering techniques (diffraction, total scattering and spectroscopy) and density functional theory calculations in order to characterise its structure... Read More about Brownmillerite-type Sr2ScGaO5 Oxide Ion Conductor: Local Structure, Phase Transition and Dynamics.

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.