Recent publications
Article
Pitcairn, J, Ongkiko, MA, Iliceto, A, Speakman, PJ, Calder, S, Cochran, MJ, Paddison, JAM, Liu, C, Argent, SP, Morris, AJ & Cliffe, MJ 2024, 'Controlling Noncollinear Ferromagnetism in van der Waals Metal–Organic Magnets', Journal of the American Chemical Society, vol. 146, no. 28, pp. 19146-19159. https://doi.org/10.1021/jacs.4c04102
Evans, M, Bergsma, J, Merkys, A, Andersen, C, Andersson, OB, Beltrán, D, Blokhin, E, Boland, TM, Balderas, RC, Choudhary, K, Díaz, AD, García, RD, Eckert, H, Eimre, K, Montero, MEF, Krajewski, AM, Mortensen, JJ, Duarte, JMN, Pietryga, J, Qi, J, Carrillo, FDJT, Vaitkus, A, Yu, J, Zettel, A, Castro, PBD, Carlsson, JM, Cerqueira, TFT, Divilov, S, Hajiyani, H, Hanke, F, Jose, K, Oses, C, Riebesell, J, Schmidt, J, Winston, D, Xie, C, Yang, X, Bonella, S, Botti, S, Curtarolo, S, Draxl, C, Fuentes-Cobas, LEE, Hospital, A, Liu, Z-K, Marques, MAL, Marzari, N, Morris, AJ, Ong, SP, Orozco, M, Persson, KA, Thygesen, KS, Wolverton, CM, Scheidgen, M, Toher, C, Conduit, G, Pizzi, G, Gražulis, S, Rignanese, G-M & Armiento, R 2024, 'Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange', Digital Discovery. https://doi.org/10.1039/D4DD00039K
Banerjee, H, Aichhorn, M, Grey, CP & Morris, AJ 2024, 'Insulating behaviour in room temperature rhombohedral LiNiO2 cathodes is driven by dynamic correlation', Journal of Physics: Energy, vol. 6, no. 4, 045003. https://doi.org/10.1088/2515-7655/ad7980
Banerjee, H, Grey, CP & Morris, AJ 2024, 'Stability and Redox Mechanisms of Ni-Rich NMC Cathodes: Insights from First-Principles Many-Body Calculations', Chemistry of Materials, vol. 36, no. 13, pp. 6575-6587. https://doi.org/10.1021/acs.chemmater.4c00928
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
Banerjee, H, Grey, CP & Morris, AJ 2023, 'Importance of electronic correlations in exploring the exotic phase diagram of layered LixMnO2', Physical Review B, vol. 108, no. 16, 165124. https://doi.org/10.1103/PhysRevB.108.165124
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
Harper, AF, Emge, SP, Magusin, PCMM, Grey, CP & Morris, A 2023, 'Modelling amorphous materials via a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina', Chemical Science, vol. 14, no. 5, pp. 1155-1167. https://doi.org/10.1039/D2SC04035B
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
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
Darby, JP, Harper, AF, Nelson, JR & Morris, AJ 2024 'Structure prediction of stable sodium germanides at 0 and 10 GPa' arXiv. https://doi.org/10.48550/arXiv.2402.15299
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
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