@article{85e5289a4c4243adac7b057d46477140,
title = "Theoretical Prediction of Metastable Intermediates in the Decomposition of Mg(BH4)2",
author = "Yongsheng Zhang and Eric Majzoub and Vidvuds Ozoliņ{\v s} and C. Wolverton",
note = "We have studied the decomposition pathway and products of Mg-borohydride using density functional theory (DFT) calculations of free energy (including vibrational contributions) in conjunction with a Monte Carlo-based crystal structure prediction method, the prototype electrostatic ground state (PEGS) search method. We find that a recently proposed Mg(B 3H 8) 2 intermediate (Chong et al.",
year = "2012",
month = may,
day = "17",
doi = "10.1021/jp302303z",
language = "American English",
volume = "116",
journal = "Journal of Physical Chemistry C",
}