Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2
Author:
Affiliation:
1. Informatics Institute, Istanbul Technical University, Maslak, 34469 Istanbul, Turkey
2. Computational Materials Informatics, via Arturo Calza, 37, 00157 Rome, Italy
3. TÜBİTAK Research Institute for Fundamental Sciences 41470 Gebze, Turkey
Funder
Türkiye Bilimsel ve Teknolojik Arastirma Kurumu
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.1c00127
Reference61 articles.
1. Hydrogen in Nanostructured, Carbon-Related, and Metallic Materials
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4. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
5. Recent Progress in Metal Borohydrides for Hydrogen Storage
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