All Outputs (2)

The pressure–temperature phase diagram of MgH2 and isotopic substitution (2011)
Journal Article

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.