Back to Search Start Over

Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2

Authors :
Samet Demir
Adem Tekin
Riccarda Caputo
Gözde İniş Demir
Source :
The Journal of Physical Chemistry C. 125:10235-10242
Publication Year :
2021
Publisher :
American Chemical Society (ACS), 2021.

Abstract

Dual-cation ammine metal borohydrides are favorable hydrogen storage materials due to their high gravimetric density and relatively low hydrogen release temperature. By combining the Fast and Flexi...

Details

ISSN :
19327455 and 19327447
Volume :
125
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry C
Accession number :
edsair.doi...........31f6a032e8d34f771de936c1c26bbee9
Full Text :
https://doi.org/10.1021/acs.jpcc.1c00127