Outputs (6)

Bi2CoO2F4 – a polar, ferrimagnetic Aurivillius oxide-fluoride (2022)
Journal Article
Scott, E. A., Mitoudi Vagourdei, E., Johnsson, M., Cascos, V., John, F., Pickup, D., Chadwick, A. V., Djani, H., Bousquet, E., Zhang, W., Halasyamani, P. S., & McCabe, E. (2022). Bi2CoO2F4 – a polar, ferrimagnetic Aurivillius oxide-fluoride. Chemistry of Materials, 34(21), 9775-9785. https://doi.org/10.1021/acs.chemmater.2c02745

Aurivillius oxides have been a research focus due to their ferroelectric properties, but by replacing oxide ions by fluoride, divalent magnetic cations can be introduced, giving Bi2MO2F4 (M = Fe, Co, and Ni). Our combined experimental and computation... Read More about Bi2CoO2F4 – a polar, ferrimagnetic Aurivillius oxide-fluoride.

Joint machine learning analysis of muon spectroscopy data from different materials (2022)
Journal Article
Tula, T., Möller, G., Quintanilla, J., Giblin, S., Hillier, A., McCabe, E., Ramos, S., Barker, D., & Gibson, S. (2022). Joint machine learning analysis of muon spectroscopy data from different materials. Journal of Physics: Conference Series, 2164, Article 012018. https://doi.org/10.1088/1742-6596/2164/1/012018

Machine learning (ML) methods have proved to be a very successful tool in physical sciences, especially when applied to experimental data analysis. Artificial intelligence is particularly good at recognizing patterns in high dimensional data, where i... Read More about Joint machine learning analysis of muon spectroscopy data from different materials.

Photocatalytic and Photocurrent Responses to Visible Light of the Lone-Pair-Based Oxysulfide Sr6Cd2Sb6S10O7 (2022)
Journal Article
Al Bacha, S., Saitzek, S., McCabe, E. E., & Kabbour, H. (2022). Photocatalytic and Photocurrent Responses to Visible Light of the Lone-Pair-Based Oxysulfide Sr6Cd2Sb6S10O7. Inorganic Chemistry, 61(46), 18611-18621. https://doi.org/10.1021/acs.inorgchem.2c03040

We present a combined experimental and computational study on the recently reported oxysulfide Sr6Cd2Sb6S10O7. Our spectroscopy and photoelectrochemical measurements and tests for photocatalytic activity indicate the potential of Sr6Cd2Sb6S10O7 for p... Read More about Photocatalytic and Photocurrent Responses to Visible Light of the Lone-Pair-Based Oxysulfide Sr6Cd2Sb6S10O7.

Fe3-xInSnxO6 (x = 0, 0.25, 0.5): A family of corundum derivatives with Sn-induced polarization and above room temperature antiferromagnetic ordering (2022)
Journal Article
Frank, C. E., McCabe, E. E., Orlandi, F., Manuel, P., Tan, X., Deng, Z., Jin, C., Croft, M., Emge, T., Yu, S., Wang, H., Gopalan, V., Lapidus, S., Wu, M., Li, M.-R., Gross, J., Burger, P., Mielewczyk-Gryń, A., Klimczuk, T., Xie, W., …Greenblatt, M. (2022). Fe3-xInSnxO6 (x = 0, 0.25, 0.5): A family of corundum derivatives with Sn-induced polarization and above room temperature antiferromagnetic ordering. Chemistry of Materials, 34(11), 5020-5029. https://doi.org/10.1021/acs.chemmater.2c00312

Three new double corundum derived compounds, Fe3-xInSnxO6, (x = 0. 0.25, 0.5) were synthesized at high pressure and temperature (6 GPa, 1400-1450 C) All the compounds order antiferromagnetically well above room temperature, TN = 608 K, 532K, and 432... Read More about Fe3-xInSnxO6 (x = 0, 0.25, 0.5): A family of corundum derivatives with Sn-induced polarization and above room temperature antiferromagnetic ordering.

Structural Diversity of Rare-Earth Oxychalcogenides (2022)
Journal Article
Orr, M., Hebberd, G. R., McCabe, E. E., & Macaluso, R. T. (2022). Structural Diversity of Rare-Earth Oxychalcogenides. ACS Omega, 7(10), 8209-8218. https://doi.org/10.1021/acsomega.2c00186

Mixed-anion systems have garnered much attention in the past decade with attractive properties for diverse applications such as energy conversion, electronics, and catalysis. The discovery of new materials through mixed-cation and single-anion system... Read More about Structural Diversity of Rare-Earth Oxychalcogenides.

Designing new polar materials (2022)
Book Chapter
McCabe, E. E. (2022). Designing new polar materials. In Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier. https://doi.org/10.1016/b978-0-12-823144-9.00080-7

Materials that exhibit a macroscopic polarization are key for a range of applications but the origin of this polarization differs between materials families. Scientists strive to understand the microscopic origins of physical properties: the inorgani... Read More about Designing new polar materials.