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Dr Andrew Morris
Winton Advanced Research Fellow
Phone: +44(0)1223 7 47375
Email: ajm255 @ cam.ac.uk
Personal web site
TCM Group, Cavendish Laboratory
19 JJ Thomson Avenue,
Cambridge, CB3 0HE UK.
My current interest is in applying the AIRSS method to a range of different materials science problems, focussing mainly on lithium-ion batteries. "Trial and error" plays a large part in the discovery of new materials. From the initial idea, the material must be synthesised and categorised before it can tested which is slow, difficult and expensive. High-throughput computation accelerates this process by suggesting then screening new materials, allowing us to ask "what if?" without the time and expense of manufacturing and categorizing samples. I model Li-ion batteries at the atomic level and try to uncover new materials to increase their capacity.
I use global search techniques such as ab initio random structure searching (AIRSS) to predict the ground-state structure of materials. From the ground state we use theoretical spectroscopy techniques to compare our results to experiment. As a junior developer of the electronic structure code CASTEP I develop tools for optics, electron-energy loss spectroscopy (EELS) and core-loss analysis through the OptaDOS code. I use and modify CASTEP-NMR to calculate the chemical shielding of battery materials in collaboration with experimentalists.
I am based in the Physics Department with strong links to the Chemistry Department and am currently looking for PhD and Part III project students.
In Plain English
I use theoretical methods to predict the behaviour of materials. . "Trial and error" plays a large part in the discovery of new materials. From the initial idea, the material must be synthesised and categorised before it can tested which is slow, difficult and expensive. High-throughput computation accelerates this process by suggesting then screening new materials, allowing us to ask "what if?" without the time and expense of manufacturing and categorizing samples. Currently I am interested in predicting the atomic structure of batteries. Which will then allow us to fully exploit their potential.
- Structural Evolution of Electrochemically Lithiated MoS2 Nanosheets and the Role of Carbon Additive in Li-Ion Batteries. Chem. Mater. 28 7304 - 7310 (2016)
- Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study. Chem. - Eur. J. 22 10065 - 10073 (2016)
- Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries Chem. Mater. 28 2011 - 2021 (2016)
- Tracking Sodium-Antimonide Phase Transformations in Sodium-Ion Anodes: Insights from Operando Pair Distribution Function Analysis and Solid-State NMR Spectroscopy. J. Am. Chem. Soc. (2016)
- Encapsulated Nanowires: Boosting Electronic Transport in Carbon Nanotubes arXiv preprint arXiv:1611.04867 (2016)
- Elucidation of the local and long-range structural changes that occur in germanium anodes in lithium-ion batteries Chem. Mater. 27 1031 - 1041 (2015)
- Ab Initio Structure Search and in Situ (7)Li NMR Studies of Discharge Products in the Li-S Battery System. J. Am. Chem. Soc. 136 16368 - 16377 (2014)
- Thermodynamically stable lithium silicides and germanides from density-functional theory calculations Phys. Rev. B 90 (2014)
- Revealing lithium-silicide phase transformations in nano-structured silicon-based lithium ion batteries via in situ NMR spectroscopy. Nature Comm. 5 3217 (2014)
- OptaDOS: A tool for obtaining density of states, core-level and optical spectra from electronic structure codes Comput. Phys. Commun. (2014)
- Lithiation of silicon via lithium Zintl-defect complexes from first principles Phys. Rev. B 87 174108 (2013)
- Simplest inorganic double-helix structures Abstr. Pap. Am. Chem. S. 245 (2013)