@inproceedings{f6d11c6a8f6e488cb6d0f40ad671cce7,
title = "Effect of Fe substituted Co-free AB3-type hydrogen storage alloys used for Ni-MH batteries: A first-principles investigation",
abstract = "In this paper, First-principles calculation were used to investigate the effect of Fe substituted Co-free AB3-type hydrogen storage alloys. (La3Mg6Ni27)1/3 alloy (Hex structure) and (La3Mg6Ni26Fe1)1/3 alloy's crystal structures were build by Material studio software, Bond structure and DOS results were calculated. To compare with the calculated results, (La3Mg6Ni27)1/3 alloy and (La3Mg6Ni26Fe1)1/3 alloy were synthesized by vacuum melting method. The effect of Fe on such alloys are discussed according to calculate results and experiment results, as a first-principle investigation.",
keywords = "First-principles calculation, Substitution",
author = "Zhang, {Min Yu} and Feng Wu and Mu, {Dao Bin} and Cao, {Guo Qing}",
year = "2014",
doi = "10.4028/www.scientific.net/AMR.974.60",
language = "English",
isbn = "9783038351498",
series = "Advanced Materials Research",
publisher = "Trans Tech Publications Ltd.",
pages = "60--65",
booktitle = "Material and Manufacturing Technology V",
address = "Switzerland",
note = "5th International Conference on Material and Manufacturing Technology, ICMMT 2014 ; Conference date: 08-05-2014 Through 09-05-2014",
}