Keith McKenna

University of York

Projects

Electron and hole trapping and excitations in polycrystalline oxides: challenge for materials simulations

Lead Institution

University College London

Principal Investigator

Alexander Shlyuger

Project type

Exploratory Research

The objectives of this proposal are to investigate the applicability and effectiveness of NWChem-Guess embedding capability for studying the electronic properties and defect mobility in the…

Interplay Between Electronic and Ionic Processes at Grain Boundaries of Polycrystalline Oxides

Lead Institution

University College London

Principal Investigator

Alexander Shlyuger

Project type

Large-Scale EMSL Research

The main objective of this project is to investigate the interplay between electronic and ionic processes at grain boundaries of polycrystalline oxides, such as MgO, stabilized cubic ZrO2 and…

Excitation and Desorption of Nano-crystalline ZrO2

Lead Institution

University College London

Principal Investigator

Alexander Shlyuger

Project type

Large-Scale EMSL Research

This project is focused on integrated theoretical and experimental studies of the interaction of light with nanoscale oxide materials of fundamental interest to the fields of photo-catalysis,…