Professor John Evans' Outputs (6)

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.

Revisiting the thermal and chemical expansion and stability of La0.6Sr0.4FeO3− (2020)
Journal Article
de Leeuwe, C., Hu, W., Neagu, D., Papaioannou, E. I., Pramana, S., Ray, B., Evans, J. S., & Metcalfe, I. S. (2021). Revisiting the thermal and chemical expansion and stability of La0.6Sr0.4FeO3−. Journal of Solid State Chemistry, 293, Article 121838. https://doi.org/10.1016/j.jssc.2020.121838

The thermal and chemical expansivity of La1-xSrxFeO3-δ (x ​= ​0.4) was measured using in situ powder neutron and synchrotron X-ray diffraction at temperatures between 932 ​K and 1170 ​K and oxygen partial pressures, , between 10−19 ​bar and 0.1 ​bar,... Read More about Revisiting the thermal and chemical expansion and stability of La0.6Sr0.4FeO3−.

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.

Amorphous Mixtures of Ice and C60 Fullerene (2020)
Journal Article
Halukeerthi, S. O., Shephard, J. J., Talewar, S. K., Evans, J. S., Rosu-Finsen, A., & Salzmann, C. G. (2020). Amorphous Mixtures of Ice and C60 Fullerene. The Journal of Physical Chemistry A, 124(24), 5015-5022. https://doi.org/10.1021/acs.jpca.0c03439

Carbon and ice make up a substantial proportion of our Universe. Recent space exploration has shown that these two chemical species often coexist including on comets, asteroids and in the interstellar medium. Here we prepare mixtures of C60 fullerene... Read More about Amorphous Mixtures of Ice and C60 Fullerene.

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.

Solid State Materials Chemistry (2020)
Book
Woodward, P. M., Karen, P., Evans, J. S., & Vogt, T. (2020). Solid State Materials Chemistry. Cambridge University Press