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Items by Morgan, Benjamin

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Number of items: 51.

Book Sections

Morgan, B. J., 2016. Two-dimensional nanosystems. In: Bromley, S. and Zwijnenburg, M., eds. Computational Modeling of Inorganic Nanomaterials. CRC Press. (Series in Materials Science and Engineering)

Articles

Koketsu, T., Ma, J., Morgan, B., Body, M., Legein, C., Dachraoui, W., Giannini, M., Demortiere, A., Salanne, M., Dardoize, F., Groult, H., Borkiewicz, O., Chapman, K., Strasser, P. and Dambournet, D., 2017. Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2. Nature Materials

Morgan, B., 2017. bsym - A basic symmetry module. The Journal of Open Source Software, 2 (16), 00307.

Morgan, B., 2017. lattice_mc: A Python Lattice-Gas Monte Carlo Module. The Journal of Open Source Software, 2 (13), 00247.

Li, W., Fukunishi, M., Morgan, B., Borkiewicz, O., Chapman, K., Pralong, V., Maignan, A., Lebedev, O., Ma, J., Groult, H., Komaba, S. and Dambournet, D., 2017. A Reversible Phase Transition for Sodium Insertion in Anatase TiO2. Chemistry of Materials, 29 (4), pp. 1836-1844.

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.

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.

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.

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. 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.

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.

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. and Watson, G. W., 2010. Intrinsic n-type Defect Formation in TiO2:A Comparison of Rutile and Anatase from GGA+U Calculations. Journal of Physical Chemistry C, 114 (5), pp. 2321-2328.

Scanlon, D. O., Godinho, K. G., Morgan, B. J. and Watson, G. W., 2010. Understanding conductivity anomalies in CuI-based delafossite transparent conducting oxides. Journal of Chemical Physics, 132 (2), 024707.

Godinho, K. G., Carey, J. J., Morgan, B. J., Scanlon, D. O. and Watson, G. W., 2010. Understanding conductivity in SrCu2O2:Stability, geometry and electronic structure of intrinsic defects from first principles. Journal of Materials Chemistry, 20 (6), p. 1086.

Shin, D., Foord, J. S., Payne, D. J., Arnold, T., Aston, D. J., Egdell, R. G., Godinho, K. G., Scanlon, D. O., Morgan, B. J., Watson, G. W., Mugnier, E., Yaicle, C., Rougier, A., Colakerol, L., Glans, P. A., Piper, L. F. J. and Smith, K. E., 2009. Comparative study of bandwidths in copper delafossites from x-ray emission spectroscopy. Physical Review B, 80 (23).

Scanlon, D., Morgan, B., Watson, G. and Walsh, A., 2009. Acceptor Levels in p-Type Cu2O: Rationalizing Theory and Experiment. Physical Review Letters, 103 (9), 096405.

Scanlon, D. O., Galea, N. M., Morgan, B. J. and Watson, G. W., 2009. Reactivity on the (110) Surface of Ceria:A GGA+U Study of Surface Reduction and the Adsorption of CO and NO2. Journal of Physical Chemistry C, 113 (25), pp. 11095-11103.

Galea, N. M., Scanlon, D. O., Morgan, B. J. and Watson, G. W., 2009. A GGA+U study of the reduction of ceria surfaces and their partial reoxidation through NO2 adsorption. Molecular Simulation, 35 (7), pp. 577-583.

Scanlon, D. O., Walsh, A., Morgan, B. J., Watson, G. J., Payne, D. J. and Egdell, R. G., 2009. Effect of Cr substitution on the electronic structure of CuAl1−xCrxO2. Physical Review B, 79 (3), 035101.

Scanlon, D. O., Walsh, A., Morgan, B. J. and Watson, G. W., 2009. Competing defect mechanisms and hydrogen adsorption on Li-Doped MgO low index surface:a DFT+U study. e-Journal of Surface Science and Nanotechnology, 7, pp. 395-404.

Scanlon, D. O., Morgan, B. J. and Watson, G. W., 2009. Modeling the polaronic nature of p-type defects in Cu2O:The failure of GGA and GGA+U. Journal of Chemical Physics, 131 (12), 124703.

Morgan, B. J., Scanlon, D. O. and Watson, G. W., 2009. Small polarons in Nb- and Ta-doped rutile and anatase TiO2. Journal of Materials Chemistry, 19 (29), pp. 5175-5178.

Morgan, B. J., Scanlon, D. O. and Watson, G. W., 2009. The use of the “+U” correction in describing defect states at metal oxide surfaces:oxygen vacancies on CeO2 and TiO2, and Li-doping of MgO. e-Journal of Surface Science and Nanotechnology, 7, pp. 389-394.

Arnold, T., Payne, D. J., Bourlange, A., Hu, J. P., Egdell, R. G., Piper, L. F. J., Colakerol, L., Masi, A., Glans, P. A., Learmonth, T., Smith, K. E., Guo, J., Scanlon, D. O., Walsh, A., Morgan, B. and Watson, G. W., 2009. X-ray spectroscopic study of the electronic structure of CuCrO(2). Physical Review B, 79 (7), 075102.

Scanlon, D. O., Walsh, A., Morgan, B. J. and Watson, G. W., 2008. An ab initio Study of Reduction of V2O5 through the Formation of Oxygen Vacancies and Li Intercalation. Journal of Physical Chemistry C, 112 (26), pp. 9903-9911.

Morgan, B. J. and Watson, G. W., 2007. A DFT+U description of oxygen vacancies at the TiO2 rutile (110) surface. Surface Science, 601 (21), pp. 5034-5041.

Morgan, B.j. and Madden, P.a., 2007. Pressure-Driven Phase Transitions in Crystalline Nanoparticles:Surface Effects on Hysteresis. Journal of Physical Chemistry C, 111 (18), pp. 6724-6731.

Morgan, B. J. and Madden, P. A., 2007. A molecular dynamics study of structural relaxation in tetrahedrally coordinated nanocrystals. Physical Chemistry Chemical Physics, 9 (19), p. 2355.

Chaudhuri, S., Chupas, P., Morgan, B. J., Madden, P. A. and Grey, C. P., 2006. An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of α-AlF3 nanoparticles. Physical Chemistry Chemical Physics, 8 (43), p. 5045.

Morgan, B. J. and Madden, P. A., 2006. Simulation of the pressure-driven wurtzite to rock salt phase transition in nanocrystals. Physical Chemistry Chemical Physics, 8 (28), p. 3304.

Morgan, B. and Madden, P. A., 2004. Ion mobilities and microscopic dynamics in liquid (Li,K)Cl. Journal of Chemical Physics, 120 (3), p. 1402.

This list was generated on Tue Jun 19 22:04:23 2018 IST.