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

Autor:	Dinara N. Sagatova, Konstantin D. Litasov, Pavel N. Gavryushkin, Maksim V. Banaev, Nursultan Sagatov
Rok vydání:	2021
Předmět:	Work (thermodynamics) Materials science chemistry chemistry.chemical_element Physical chemistry General Materials Science Density functional theory General Chemistry Condensed Matter Physics Alkali metal Carbon Crystal structure prediction
Zdroj:	Crystal Growth & Design. 21:6744-6751
ISSN:	1528-7505 1528-7483
DOI:	10.1021/acs.cgd.1c00652
Popis:	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...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3cef1977d8b19b14c4997a9b4946882f https://doi.org/10.1021/acs.cgd.1c00652 Zobrazit plný text záznamu