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Alkali Metal (Li, Na, and K) Orthocarbonates: Stabilization of sp3-Bonded Carbon at Pressures above 20 GPa

Authors :
Dinara N. Sagatova
Konstantin D. Litasov
Pavel N. Gavryushkin
Maksim V. Banaev
Nursultan Sagatov
Source :
Crystal Growth & Design. 21:6744-6751
Publication Year :
2021
Publisher :
American Chemical Society (ACS), 2021.

Abstract

In the present work, based on the density functional theory and crystal structure prediction algorithms, we found novel structures of alkali metal orthocarbonates Li4CO4-C2/c, Na4CO4-C2/c, and K4CO...

Details

ISSN :
15287505 and 15287483
Volume :
21
Database :
OpenAIRE
Journal :
Crystal Growth & Design
Accession number :
edsair.doi...........3cef1977d8b19b14c4997a9b4946882f
Full Text :
https://doi.org/10.1021/acs.cgd.1c00652