Projects per year
We investigated atomic hydrogen solubility in UO2 using DFT. We predict that hydrogen energetically prefers to exist as a hydride ion rather than form a hydroxyl group by 0.27 eV, and that on diffusion hydrogen's charge state will change. The activation energy for conversion of hydride to hydroxyl is 0.94 eV.
|Number of pages||4|
|Early online date||17 Sep 2015|
|Publication status||Published - 2015|
FingerprintDive into the research topics of 'Hydride ion formation in stoichiometric UO2'. Together they form a unique fingerprint.
- 1 Finished
Nanostructured Thermoelectric Oxides for Energy Generation: A Combined Experimental and Modelling Investigation
Engineering and Physical Sciences Research Council
1/04/12 → 31/03/15
Project: Research council
High Performance Computing (HPC) Facility
Steven Chapman (Manager)University of Bath