Expired Project
Electronic structure studies of the defect chemistry of TiO2
Project details
Project title: Electronic structure studies of the defect chemistry of TiO2
Project code: tcche006b
Project class: B
Start date: Monday 11 May 2009
End date: Tuesday 11 May 2010
Full National Service
National Capability Service
People
Project PI: Dr. Benjamin Morgan
Number of users: 1
Registered users: 2
Resulting publications
- Small polarons in Nb- and Ta-doped rutile and anatase TiO2
- Polaronic trapping of electrons and holes by native defects in anatase TiO2
- Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations
Allocated resources
| Stokes | Stoney | Hamilton | Walton | Blue Gene | |
|---|---|---|---|---|---|
| CPU (hours) | 600000 | 0 | 0 | 0 | 0 |
| Storage (GB.Year) | 200 | 0 | 0 | 0 | 0 |