Andrew Morris Group Website

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Andrew J. Morris Group
Joseph, Iria, Can, James, Jamie, Martin, Matthew, Andrew, Paulo, Bora
Group within Department of Physics.
(Joseph, Iria, Can, James, Jamie, Martin, Matthew, Andrew, Paulo, Bora)


Main Article: Andrew Morris

This is Andrew Morris' group website. We are members of the Theory of Condensed Matter Group in the Cavendish Laboratory at the University of Cambridge. We are affiliated with the Maxwell Centre, Nanoscience Centre and the Department of Chemistry. Below gives a brief overview of our main research themes, us the navigation section on the left hand side to find out about the research group and our publications amongst other things.

Contents

Recent News

Main article: News

Mdm champagne scaled.jpg August 2017: Congratulations Dr Mayo!

Woo!

Alma thesis.jpg July 2017 (totally on time): Congratulations Martin!

Martin becomes the first AJM group member to survive submit a PhD thesis, "Ab initio anode materials discovery for Li- and Na-ion batteries".

Lisn.png June 2017: New Publication
  1. Structure Prediction of Li--Sn and Li--Sb Intermetallics for Lithium-ion Batteries Anodes., Martin Mayo and Andrew J. Morris, Chem. Mater. Article ASAP (2017), DOI:10.1021/acs.chemmater.6b04914.
Mof.gif May 2017: New Publication
  1. 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.

Research

Main Article: Research

Energy Storage

The Phases of lithium germanide found using computational structure prediction

We have a long running collaboration with Prof Clare Grey and Prof Chris Pickard using the ab initio random structure searching method to predict the stable phases of electrodes that occur as a lithium-ion battery charges.

Over the course of the project we have found new phases of lithium silicides, lithium germanides, lithium phosphides and lithium sulphides, including new defect and high-pressure phases.

Point-defects

{H,Si} defect in silicon

We are interested in the atomic and electronic structure of impurities in batteries, semiconductors and ceramics. Using AIRSS we predict the low energy structures at various impurity concentrations. We have various ways to include entropy into the final results.

This work is mainly in collaboration with Prof Richard Needs in Cambridge. We also have fruitful collaborations with Prof Neil Allan at the University of Bristol and Dr Dorothy Duffy at University College London.

Theoretical Spectroscopy

Density of Electronic States of a Boron Nitride nanoribbon Courtesy of Dr. C Lynch.

In collaboration with Prof Jonathan Yates and Dr Rebecca Nicholls at the University of Oxford we author the OptaDOS code. OptaDOS is a code for calculating optical, core-level excitation spectra along with full, partial and joint electronic density of states (DOS). At present OptaDOS interfaces with CASTEP and ONETEP output files, although it is extendible to perform calculations on any set of band eigenvalues and their derivatives generated by any electronic structure code.

Encapsulation in Nanotubes

In collaboration with Drs David Quigely and Jeremy Sloan at the University of Warwick. We predict the structure of tiny crystals that can form inside carbon nanotubes.

This is a rather new project. Pretty pictures will follow in due course.