Recent publications
Article
Xu, Y, Marrett, JM, Titi, HM, Darby, JP, Morris, A, Friscic, T & Arhangelskis, M 2023, 'Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials', Journal of the American Chemical Society, vol. 145, no. 6, pp. 3515-3525. https://doi.org/10.1021/jacs.2c12095
Harper, AF, Monserrat, B & Morris, AJ 2023, 'Finite-temperature effects on the x-ray absorption spectra of crystalline alumina from first principles', AIP Advances, vol. 13, no. 5, 055015. https://doi.org/10.1063/5.0146033
Julien, PA, Arhangelskis, M, Germann, LS, Etter, M, Dinnebier, RE, Morris, AJ & Friščić, T 2023, 'Illuminating milling mechanochemistry by tandem real-time fluorescence emission and Raman spectroscopy monitoring', Chemical Science, vol. 14, pp. 12121-12132. https://doi.org/10.1039/d3sc04082h
Pitcairn, J, Iliceto, A, Cañadillas-Delgado, L, Fabelo, O, Liu, C, Balz, C, Weilhard, A, Argent, SP, Morris, A & Cliffe, MJ 2023, 'Low-Dimensional Metal–Organic Magnets as a Route toward the S = 2 Haldane Phase', Journal of the American Chemical Society, vol. 145, no. 3, pp. 1783-1792. https://doi.org/10.1021/jacs.2c10916
Genreith-Schriever, AR, Banerjee, H, Menon, AS, Bassey, EN, Piper, LFJ, Grey, CP & Morris, AJ 2023, 'Oxygen hole formation controls stability in LiNiO2 cathodes', Joule, vol. 7, no. 7, pp. 1623-1640. https://doi.org/10.1016/j.joule.2023.06.017
Ells, AW, Evans, ML, Groh, MF, Morris, A & Marbella, LE 2022, 'Phase transformations and phase segregation during potassiation of SnxPy anodes', Chemistry of Materials, vol. 34, no. 16, pp. 7460-7467. https://doi.org/10.1021/acs.chemmater.2c01570
Kashtiban, RJ, Burdanova, MG, Vasylenko, A, Wynn, J, Medeiros, PVC, Ramasse, Q, Morris, AJ, Quigley, D, Lloyd-Hughes, J & Sloan, J 2021, 'Linear and helical cesium iodide atomic chains in ultranarrow single-walled carbon nanotubes: impact on optical properties', ACS Nano, vol. 15, no. 8, pp. 13389-13398. https://doi.org/10.1021/acsnano.1c03705
Andersen, CW, Armiento, R, Blokhin, E, Conduit, GJ, Dwaraknath, S, Fekete, Á, Gopakumar, A, Gražulis, S, Merkys, A, Mohamed, F, Oses, C, Pizzi, G, Rignanese, G-M, Scheidgen, M, Talirz, L, Toher, C, Winston, D, Aversa, R, Choudhary, K, Colinet, P, Curtarolo, S, Stefano, DD, Draxl, C, Er, S, Esters, M, Fornari, M, Giantomassi, M, Govoni, M, Hautier, G, Hegde, V, Huck, P, Huhs, G, Hummelshøj, J, Kariryaa, A, Kozinsky, B, Kumbhar, S, Liu, M, Marzari, N, Morris, AJ, Mostofi, A, Persson, KA, Petretto, G, Purcell, T, Ricci, F, Rose, F, Scheffler, M, Speckhard, D, Uhrin, M, Vaitkus, A, Villars, P, Waroquiers, D, Wolverton, C, Wu, M & Yang, X 2021, 'OPTIMADE, an API for exchanging materials data', Sci Data, vol. 8, no. 1, 217. https://doi.org/10.1038/s41597-021-00974-z
Darby, JP, Arhangelskis, M, Katsenis, AD, Marrett, JM, Friščić, T & Morris, AJ 2020, 'Ab Initio Prediction of Metal-Organic Framework Structures', Chemistry of Materials, vol. 32, no. 13, pp. 5835-5844. https://doi.org/10.1021/acs.chemmater.0c01737
Karasulu, B, Koçer, CP, Nelson, JR & Morris, AJ 2020, 'Ab initio
Structure Prediction Methods for Battery Materials : A review of recent computational efforts to predict the atomic level structure and bonding in materials for rechargeable batteries', Johnson Matthey Technology Review, vol. 64, no. 2, pp. 103-118. https://doi.org/10.1595/205651320X15742491027978
Karasulu, B, Emge, SP, Groh, MF, Grey, CP & Morris, AJ 2020, 'Al/Ga-doped Li7La3Zr2O12 Garnets as Li-ion solid-state battery electrolytes: atomistic insights into local coordination environments and their influence on 17O, 27Al, and 71Ga NMR spectra', Journal of the American Chemical Society, vol. 142, no. 6, pp. 3132-3148. https://doi.org/10.1021/jacs.9b12685
Other contribution
Ghumra, A (ed.), Acil, N, Barker, J, Baziotis, C, Beltran Hernandez, A, Dai, D, Deakin, J, Dettmer, S, Fentham, D, Fontrodona-Bach, A, Hart-Villamil, R, Jenkins, B, Jia, X, Jones, AM, Morris, A, Murakami, A, Seymour, R, Da Silva Xavier, G, Smith, C, Tashev, S, Turner, J, Uche, EO, Xia, X & Zhong, J 2023, Birmingham Environment for Academic Research: Case studies volume 3. University of Birmingham. https://doi.org/10.25500/epapers.bham.00004303
Preprint
Pitcairn, J, Iliceto, A, Cañadillas-Delgado, L, Fabelo, O, Liu, C, Balz, C, Weilhard, A, Argent, SP, Morris, AJ & Cliffe, MJ 2023 'Low-dimensional metal-organic magnets as a route towards the S=2 Haldane phase' arXiv. https://doi.org/10.48550/arXiv.2212.09393
Banerjee, H, Grey, CP & Morris, AJ 2023 'The importance of electronic correlations in exploring the exotic phase diagram of layered LixMnO2' arXiv. https://doi.org/10.48550/arXiv.2209.14682
Harper, AF, Monserrat, B & Morris, AJ 2022 'Finite temperature effects on the X-ray absorption spectra of crystalline aluminas from first principles' arXiv. https://doi.org/10.48550/arXiv.2206.10448
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