Expired Project

Metal Oxide Surfaces and Interfaces: at the Frontier of First Principles Simulations

Project details

Project title: Metal Oxide Surfaces and Interfaces: at the Frontier of First Principles Simulations
Project code: tiche006b
Project class: B

Start date: Sunday 1 April 2007
End date: Wednesday 1 April 2009

Full National Service

National Capability Service

People

Project PI: Dr. Michael Nolan
Number of users: 2-5
Registered users: 2

Resulting publications

• Molecular Adsorption on the Doped Ceria (110) Surface
• Healing of oxygen vacancies on reduced surfaces of gold-doped ceria
• Effect of La doping on CO adsorption at ceria surfaces
• Doping of ceria surfaces with lanthanum: a DFT+U study

Allocated resources