All Outputs (2)

The pressure–temperature phase diagram of MgH2 and isotopic substitution (2011)
Journal Article
Moser, D., Baldissin, G., Bull, D., Riley, D., Morrison, I., Ross, D., …Noreus, D. (2011). The pressure–temperature phase diagram of MgH2 and isotopic substitution. Journal of Physics: Condensed Matter, 23(30), 305403. https://doi.org/10.1088/0953-8984/23/30/305403

Computational thermodynamics using density functional theory ab initio codes is a powerful tool for calculating phase diagrams. The method is usually applied at the standard pressure of p = 1 bar and where the Gibbs energy is assumed to be equal to t... Read More about The pressure–temperature phase diagram of MgH2 and isotopic substitution.

In-situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N (2011)
Journal Article
Bull, D., Sorbic, N., Moser, D., Telling, M., Smith, R., Gregory, D., & Ross, D. (2011). In-situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N. Faraday Discussions, 151, https://doi.org/10.1039/c0fd00020e

The hydrogenation of Li3N at low chemical potential has been studied in situ by time-of-flight powder neutron diffraction and the formation of a nonstoichiometric Li4_2xNH phase and Li4NH observed. The results are interpreted in terms of a model for... Read More about In-situ powder neutron diffraction study of non-stoichiometric phase formation during the hydrogenation of Li3N.