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Control of Dynamic sp3-C Stereochemistry (2023)
Journal Article
Bismillah, A., Johnson, T., Hussein, B., Turley, A., Saha, P., Wong, H., …McGonigal, P. (2023). Control of Dynamic sp3-C Stereochemistry. Nature Chemistry, 15(5), 615-624. https://doi.org/10.1038/s41557-023-01156-7

Stereogenic sp3-hybridized carbon centres are fundamental building blocks of chiral molecules. Unlike dynamic stereogenic motifs, such as sp3-nitrogen centres or atropisomeric biaryls, sp3-carbon centres are usually fixed, requiring intermolecular re... Read More about Control of Dynamic sp3-C Stereochemistry.

Rupturing aromaticity by periphery overcrowding (2023)
Journal Article
Saha, P. K., Mallick, A., Turley, A. T., Bismillah, A. N., Danos, A., Monkman, A. P., …McGonigal, P. R. (2023). Rupturing aromaticity by periphery overcrowding. Nature Chemistry, 15(4), 516-525. https://doi.org/10.1038/s41557-023-01149-6

The balance between strain relief and aromatic stabilization dictates the form and function of non-planar π-aromatics. Overcrowded systems are known to undergo geometric deformations, but the energetically favourable π-electron delocalization of thei... Read More about Rupturing aromaticity by periphery overcrowding.

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.

Identification of Graphene Dispersion Agents through Molecular Fingerprints (2022)
Journal Article
Goldie, S. J., Degiacomi, M. T., Jiang, S., Clark, S. J., Erastova, V., & Coleman, K. S. (2022). Identification of Graphene Dispersion Agents through Molecular Fingerprints. ACS Nano, 16(10), https://doi.org/10.1021/acsnano.2c04406

The scalable production and dispersion of 2D materials, like graphene, is critical to enable their use in commercial applications. While liquid exfoliation is commonly used, solvents such as N-methyl-pyrrolidone (NMP) are toxic and difficult to scale... Read More about Identification of Graphene Dispersion Agents through Molecular Fingerprints.

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., …Ma, C. (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., Zhang, W., Halasyamani, P. S., …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., …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.

Supramolecular Repair of Hydration Lubrication Surfaces (2021)
Journal Article
Wang, Y., Sun, Y., Avestro, A., McGonigal, P., & Zhang, H. (2022). Supramolecular Repair of Hydration Lubrication Surfaces. Chem, 8(2), 480-493. https://doi.org/10.1016/j.chempr.2021.11.001

Although advances in coating technologies have allowed us to match—or even exceed—the lubricity of Nature’s low-friction surfaces, the performance of synthetic materials inevitably diminish over time as the surfaces are worn and damaged by irreversib... Read More about Supramolecular Repair of Hydration Lubrication Surfaces.

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.

Cobalt nanoparticle catalysed graphitization and the effect of metal precursor decomposition temperature (2021)
Journal Article
Goldie, S. J., Jiang, S., & Coleman, K. S. (2021). Cobalt nanoparticle catalysed graphitization and the effect of metal precursor decomposition temperature. Materials Advances, 2(10), 3353-3361. https://doi.org/10.1039/d1ma00125f

Porous carbon foams hold great promise for supercapacitors and next generation energy storage materials but greater control over the formation of the pore structure would aid the development of these materials. High temperature graphitization has bee... Read More about Cobalt nanoparticle catalysed graphitization and the effect of metal precursor decomposition temperature.

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.

Structure Analysis from Powder Diffraction Data: Rietveld Refinement in Excel (2020)
Journal Article
Evans, J. S., & Radosavljevic Evans, I. (2021). Structure Analysis from Powder Diffraction Data: Rietveld Refinement in Excel. Journal of Chemical Education, 98(2), 495-505. https://doi.org/10.1021/acs.jchemed.0c01016

Powder diffraction is one of the most widely used analytical techniques for characterizing solid state materials. It can be used for phase or polymorph identification, quantitative analysis, cell parameter determination, or even full crystal structur... Read More about Structure Analysis from Powder Diffraction Data: Rietveld Refinement in Excel.

A spatially orthogonal hierarchically porous acid–base catalyst for cascade and antagonistic reactions (2020)
Journal Article
Isaacs, M. A., Parlett, C. M., Robinson, N., Durndell, L. J., Manayil, J. C., Beaumont, S. K., …Lee, A. F. (2020). A spatially orthogonal hierarchically porous acid–base catalyst for cascade and antagonistic reactions. Nature Catalysis, 3(11), 921-931. https://doi.org/10.1038/s41929-020-00526-5

Complex organic molecules are of great importance to research and industrial chemistry and typically synthesized from smaller building blocks by multistep reactions. The ability to perform multiple (distinct) transformations in a single reactor would... Read More about A spatially orthogonal hierarchically porous acid–base catalyst for cascade and antagonistic reactions.

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.