Morgan, Benjamin - University of Bath - Department of Chemistry

研究领域

Lithium-ion solid electrodes and electrolytes. Theory of complex ionic transport in solids. The behaviour of crystal defects at surfaces and solid–solid interfaces "nanoionic" phenomena. Phase stability and polymorphism in nanostructured materials.

近期论文

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Quackenbush, N. F., Paik, H., Wahilla, M. J., Sallis, S., Holtz, M. E., Huang, X., Ganose, A. M., Morgan, B., Scanlon, D. O., Gu, Y., Xue, F., Chen, L.-Q., Sterbinsky, G. E., Schlueter, C., Lee, T.-L., Woicik, J. C., Guo, J.-H., Brock, J. D., Muller, D. A., Arena, D. A., Schlom, D. A. and Piper, L. F. J., 2016. The stability of the M2 phase of vanadium dioxide induced by coherent epitaxial strain. Physical Review B : Condensed Matter and Materials Physics, 94 (8), 085105. Zhou, S., Barim, G., Morgan, B. J., Melot, B. C. and Brutchey, R. L., 2016. Influence of rotational distortions on Li+- and Na+- intercalation in anti-NASICON Fe2(MoO4)3. Chemistry of Materials, 28 (2), pp. 4492-4500. Lopez-Bermuda, B., Zeier, W. G., Zhou, S., Lehner, A. J., Hu, J., Scanlon, D. O., Morgan, B. J. and Melot, B. C., 2016. Lithium-ion conductivity in Li6Y(BO3)3:a thermally and electrochemically robust solid electrolyte. Journal of Materials Chemistry A, 4 (18), pp. 6972-6979. Morgan, B. J., 2016. Two-dimensional nanosystems. In: Bromley, S. and Zwijnenburg, M., eds. Computational Modeling of Inorganic Nanomaterials. CRC Press. Burbano, M., Carlier, D., Boucher, F., Morgan, B. and Salanne, M., 2016. Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li7La3Zr2O12. Physical Review Letters, 116, 135901. Koch, S., Morgan, B., Passerini, S. and Teobaldi, G., 2015. Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes. Journal of Power Sources, 296, pp. 150-161. Morgan, B. J. and Madden, P. A., 2014. Relationships between atomic diffusion mechanisms and ensemble transport coefficients in crystalline polymorphs. Physical Review Letters, 112 (14), 145901. Kahk, J. M., Poll, C. G., Oropeza, F. E., Ablett, J. M., Céolin, D., Rueff, J.-p., Agrestini, S., Utsumi, Y., Tsuei, K. D., Liao, Y. F., Borgatti, F., Panaccione, G., Regoutz, A., Egdell, R. G., Morgan, B. J., Scanlon, D. O. and Payne, D. J., 2014. Understanding the electronic structure of IrO2 using hard-X-ray photoelectron spectroscopy and density-functional theory. Physical Review Letters, 112 (11), 117601. Morgan, B. J. and Madden, P. A., 2014. Molecular dynamics simulation of ionic transport at coherent interfaces in fluorite heterostructures. Physical Review B, 89 (5), 054304. Kahk, J. M., Sheridan, D. L., Kehoe, A. B., Scanlon, D. O., Morgan, B. J., Watson, G. W. and Payne, D. J., 2014. The electronic structure of silver orthophosphate:Experiment and theory. Journal of Materials Chemistry A, 2 (17), pp. 6092-6099. Morgan, B. J. and Madden, P. A., 2012. Lithium intercalation into TiO2(B):A comparison of LDA, GGA, and GGA+U density functional calculations. Physical Review B, 86 (3), 035147. Morgan, B. J. and Madden, P. A., 2012. Absence of a space-charge-derived enhancement of ionic conductivity in β|γ- heterostructured 7H- and 9R-AgI. Journal of Physics-Condensed Matter, 24 (27), p. 275303. Keating, P. R. L., Scanlon, D. O., Morgan, B. J., Galea, N. M. and Watson, G. W., 2012. Analysis of Intrinsic Defects in CeO2 using a Koopmans-Like GGA+U approach. Journal of Physical Chemistry C, 116 (3), pp. 2443-2452. Morgan, B. J. and Madden, P. A., 2011. Effects of Lattice Polarity on Interfacial Space Charges and Defect Disorder in Ionically Conducting AgI Heterostructures. Physical Review Letters, 107 (20), 206102. Godinho, K. G., Morgan, B. J., Allen, J. P., Scanlon, D. O. and Watson, G. W., 2011. Chemical bonding in copper-based transparent conducting oxides. Journal of Physics-Condensed Matter, 23 (33), p. 334201. Morgan, B. J. and Watson, G. W., 2011. Role of Lithium Ordering in the LixTiO2 Anatase → Titanate Phase Transition. Journal of Physical Chemistry Letters, 2 (14), pp. 1657-1661. Morgan, B. J., Scanlon, D. O. and Watson, G. W., 2011. Comment on “Generalized Gradient Approximation + U Study for Metallization Mechanism of Niobium-Doped Anatase Titanium Dioxide”. Japanese Journal of Applied Physics, 50 (6), 069101. Scanlon, D. O., Morgan, B. J. and Watson, G. W., 2011. The origin of the enhanced oxygen storage capacity of Ce1?x(Pd/Pt)xO2. Physical Chemistry Chemical Physics, 13 (10), p. 4279. Morgan, B. J. and Watson, G. W., 2010. GGA+U description of lithium intercalation into anatase TiO2. Physical Review B, 82 (14), 144119. Morgan, B. J., 2010. First-principles study of epitaxial strain as a method of B4→BCT stabilization in ZnO, ZnS, and CdS. Physical Review B, 82 (15), 153408.