Andrew Morris Group Website


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Open Access (OA.png) and arXiv (ArXiv.png) links.

  1. Electronic Structure Control of Sub-Nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes, Andrij Vasylenko, Samuel Marks, Jamie M. Wynn, Paulo V. C. Medeiros, Quentin M. Ramasse, Andrew J. Morris, Jeremy Sloan, David Quigley, ACS Nano xxx Article ASAP (2018), DOI:10.1021/acsnano.8b02261.
  2. Towards the systematic crystallisation of molecular ionic cocrystals: insights from computed crystal form landscapes, Sharmarke Mohamed, Ahmad Almasri Alwan, Tomislav Friščić, Andrew J. Morris and Mihails Arhangelskis, Faraday Discussions xxx Accepted manuscript (2018), DOI:10.1039/C8FD00036K.
  3. Experimental and Theoretical Investigation of Structures, Stoichiometric Diversity, and Bench Stability of Cocrystals with a Volatile Halogen Bond Donor, Katarina Lisac, Vinko Nemec, Filip Topić, Mihails Arhangelskis, Poppy Hindle, Ricky Tran, Igor Huskić, Andrew J. Morris, Tomislav Friščić, and Dominik Cinčić, Crystal Growth & Design 18 (4) 2387-2396 (2018), DOI:10.1021/acs.cgd.7b01808.
  4. OA.png Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks, Mihails Arhangelskis, Athanassios D. Katsenis, Andrew J. Morris and Tomislav Friščić, Chem. Sci. 9 3367-3375 (2018), DOI:10.1039/C7SC05020H.
  5. OA.png Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches, Jamie M. Wynn, Paulo V. C. Medeiros, Andrij Vasylenko, Jeremy Sloan, David Quigley, and Andrew J. Morris, Phys. Rev. Mat. 1 073001 (2017), DOI:10.1103/PhysRevMaterials.1.073001.
  6. OA.png Combined use of solid-state NMR spectroscopy and theoretical modelling as a method of structure determination, M. Arhangelskis, R. Stein, A. J. Morris, M. D. Eddleston, N. Madusanka, W. Jones and T. Friščić, Acta Cryst A73 a421 (2017), DOI:10.1107/S0108767317095897.
  7. OA.png Structure Prediction of Li--Sn and Li--Sb Intermetallics for Lithium-ion Batteries Anodes., Martin Mayo and Andrew J. Morris, Chem. Mater. 29 (14) 5787–5795 (2017), DOI:10.1021/acs.chemmater.6b04914.
  8. OA.png Experimental and Theoretical Evaluation of the Stability of True MOF Polymorphs Explains Their Mechanochemical Interconversions, Zamirbek Akimbekov, Athanassios D. Katsenis, G. P. Nagabhushana, Ghada Ayoub, Mihails Arhangelskis, Andrew J. Morris, Tomislav Friščić and Alexandra Navrotsky, J. Am. Chem. Soc. 139(23) 3070–3082 (2017), DOI:10.1021/acs.chemmater.7b00070.
  9. OA.png Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory, and Solid-State NMR Approach, Joshua M. Stratford , Martin Mayo , Phoebe K. Allan, Oliver Pecher, Olaf J. Borkiewicz, Kamila M. Wiaderek, Karena W. Chapman⊥, Chris J. Pickard, Andrew J. Morris, and Clare P. Grey, J. Am. Chem. Soc. 139 7273-7286 (2017), DOI:10.1021/jacs.7b01398.
  10. OA.png Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated inside Ultra-Narrow, Single-Walled Carbon Nanotubes, Paulo V. C. Medeiros, Samuel Marks, Jamie M. Wynn, Andrij Vasylenko, Quentin M. Ramasse, David Quigley, Jeremy Sloan, and Andrew J. Morris, ACS Nano 11 6178-6185 (2017), DOI:10.1021/acsnano.7b02225.
  11. OA.png Local Structure Evolution and Modes of Charge Storage in Secondary Li–FeS2 Cells, Megan M. Butala, Martin Mayo , Vicky V. T. Doan-Nguyen, Margaret A. Lumley, Claudia Göbel, Kamila M. Wiaderek, Olaf J. Borkiewicz, Karena W. Chapman, Peter J. Chupas, Mahalingam Balasubramanian, Geneva Laurita , Sylvia Britto, Andrew J. Morris, Clare P. Grey, and Ram Seshadri, Chem. Mater. 29(7) 3070-3082 (2017), DOI:10.1021/acs.chemmater.7b00070.
  12. OA.png Encapsulated nanowires: Boosting electronic transport in carbon nanotubes, Andrij Vasylenko, Jamie Wynn, Paulo V. C. Medeiros, Andrew J. Morris, Jeremy Sloan, and David Quigley, Phys. Rev. B (R) 95 121408 (2017), DOI:10.1103/PhysRevB.95.121408.
  13. OA.png Structural Evolution of Electrochemically Lithiated MoS2 Nanosheets and the Role of Carbon Additive in Li-Ion Batteries, Chandramohan George, Andrew J. Morris, Mohammad H. Modarres, and Michael De Volder, Chem. Mater. 28 7304-7310 (2016), DOI:10.1021/acs.chemmater.6b02607.
  14. OA.png Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study, M. Arhangelskis, M. Eddleston, D. Reid, G. Day, D-K. Bučar, A. J. Morris, W. Jones, Chem. Eur. J. 22 10065 (2016), DOI:10.1002/chem.201601340.
  15. OA.png Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries, M. Mayo, K. J. Griffith, C. J. Pickard and A. J. Morris, Chem. Mater. 28 2011-2021 (2016), DOI:10.1021/acs.chemmater.5b04208.
  16. OA.png Tracking Sodium-Antimonide Phase Transformations in Sodium-Ion Anodes: Insights from Operando Pair Distribution Function Analysis and Solid-State NMR Spectroscopy, P. K. Allan, J. M. Griffin, A. Darwiche, O. J. Borkiewicz, K. M. Wiaderek, K. W. Chapman, A. J. Morris, P. J. Chupas, L. Monconduit, and C. P. Grey, J. Am. Chem. Soc. 138 2352–2365 (2016), DOI:10.1021/jacs.5b13273.
  17. Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries, H. Jung, P. Allan, Y.-Y. Hu, O. Borkiewicz, X.-L. Wang, W.-Q. Han, L.-S. Du, C. J. Pickard, P. Chupas, K. Chapman, A. J. Morris, C. P. Grey, Chem. Mater. 23 1031 (2015), DOI:10.1021/cm504312x.
  18. Ab initio structure search and in situ 7Li NMR studies of discharge products in the Li-S battery system, , Kimberly A. See, Michal Leskes, John M. Griffin, Sylvia Britto, Peter D. Matthews, Alexandra Emly, Anton Van der Ven, Dominic S. Wright, Andrew J. Morris*, Clare P. Grey* and Ram Seshadri*, J. Am. Chem. Soc. 136 16368 (2014), DOI:10.1021/ja508982p.
  19. ArXiv.png Thermodynamically stable lithium silicides and germanides from density-functional theory calculations, Andrew J. Morris, C. P. Grey and Chris J. Pickard, Phys. Rev. B 90 054111 (2014), DOI:10.1103/PhysRevB.90.054111.
  20. OptaDOS: A Tool for Obtaining Density of States, Core-loss and Optical Spectra from Electronic Structure Codes, Andrew J. Morris, Rebecca J. Nicholls, Chris J. Pickard and Jonathan R. Yates, Comp. Phys. Comm. 185 1477 (2014), DOI:10.1016/j.cpc.2014.02.013.
  21. Revealing lithium-silicide phase transformations in nano-structured silicon-based lithium ion batteries via in situ NMR spectroscopy, K. Ogata, E. Salager, C. J. Kerr, A. E. Fraser, C. Ducati, A. J. Morris, S. Hofmann and C. P. Grey, Nature Comm. 5 3217 (2014), DOI:10.1038/ncomms4217.
  22. Lithiation of silicon via lithium Zintl-defect complexes from first principles, Andrew J. Morris, R. J. Needs, Elodie Salager, C. P. Grey, and Chris J. Pickard, Phys. Rev. B 87 174108 (2013), DOI:10.1103/PhysRevB.87.174108.
  23. Trapping of He in intrinsic defects in zirconolite, Jack Mulroue, Matthew Watkins, Andrew J. Morris and Dorothy M. Duffy, J. Nucl. Mat. 437 261 (2013), DOI:10.1016/j.jnucmat.2013.02.037.
  24. Inorganic Double Helix Structures of Unusually Simple Li-P Species, Alexander S. Ivanov, Andrew J. Morris, Konstantin V. Bozhenko, Chris J. Pickard and Alexander I. Boldyrev, Angew. Chemie Int. Ed. 51 33, 8330-8333 (2012), DOI:10.1002/anie.201201843.
  25. OptaDOS - a new tool for EELS calculations, R. J. Nicholls, A. J. Morris, C. J. Pickard and J. R. Yates, J. Phys.: Conf. Ser. 371 012062 (2012), DOI:10.1088/1742-6596/371/1/012062.
  26. Silicon Connectivities and Lithium Coordination in Li12Si7 as Determined by Solid State Nuclear Magnetic Resonance Spectroscopy, Thomas K.-J. Köster, Elodie Salager, Andrew J. Morris, Baris Key, Vincent Seznec, Mathieu Morcrette, Chris J. Pickard, Clare P. Grey, Angew. Chem. Int. Ed. 123 52, 12799-12802 (2011), DOI:10.1002/ange.201105998.
  27. ArXiv.png Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell construction, A. J. Morris, C. P. Grey, R. J. Needs and C. J. Pickard, Phys. Rev. B 84 224106 (2011), DOI:10.1103/PhysRevB.84.224106.
  28. ArXiv.png Ab initio study of intrinsic defects in zirconolite, Jack Mulroue, Andrew J. Morris and Dorothy M. Duffy, Phys. Rev. B 84 094118 (2011), DOI:10.1103/PhysRevB.84.094118.
  29. ArXiv.png Ultracold atoms at unitarity within quantum Monte Carlo, Andrew. J. Morris, Pablo Lopez Rios and R. J. Needs., Phys. Rev. A 81 033619 (2010), DOI:10.1103/PhysRevA.81.033619.
  30. ArXiv.png Hydrogen/nitrogen/oxygen complexes in silicon from computational searches, Andrew. J. Morris, Chris J. Pickard and R. J. Needs, Phys. Rev. B 80 144112 (2009), DOI:10.1103/PhysRevB.80.144112.
  31. ArXiv.png Hydrogen/silicon complexes in silicon from computational searches, Andrew. J. Morris, Chris J. Pickard and R. J. Needs, Phys. Rev. B 78 184102 (2008), DOI:10.1103/PhysRevB.78.184102.
  32. ArXiv.png Vertex Corrections in localised and extended systems, Andrew. J. Morris, Martin Stankovski, Kris Delaney, Patrick Rinke, Pablo Garcia-Gonzales, Rex Godby, Phys. Rev. B 76 155106 (2007), DOI:10.1103/PhysRevB.76.155106.

Other Publications Part Funded By the Group

  1. OA.png C2x: A tool for visualisation and input preparation for Castep and other electronic structure codes, M J Rutter, Comp. Phys. Comm. ? ?? (2017), DOI:10.1016/j.cpc.2017.12.008.