Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/304267
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Compressing the Channels in the Crystal Structure of Copper Squarate Metal-Organic Framework |
Autor: | Colmenero, Francisco CSIC ORCID; Lobato, A.; Timón, Vicente CSIC ORCID | Palabras clave: | Copper squarate Metal organic frameworks Crystal structure Elasticity Compressibility functions Negative linear compressibility |
Fecha de publicación: | 18-jun-2022 | Editor: | Molecular Diversity Preservation International | Citación: | Solids 3: 374-384 (2022) | Resumen: | The crystal structure of a copper squarate metal-organic framework is fully determined using first principles methods based in density functional theory. The compressibility of this material is studied by optimizing the structure under different isotropic pressures and uniaxial stresses directed along the direction of minimum compressibility, [1 0 0]. Under isotropic compression, channels become wider along [1 0 0], leading to negative linear compressibility, NLC. Under compression along [1 0 0], the unit-cell volume increases leading to negative volumetric compressibility. | Descripción: | 11 pags., 8 figs., 1 tab. | Versión del editor: | http://dx.doi.org/10.3390/solids3020026 | URI: | http://hdl.handle.net/10261/304267 | DOI: | 10.3390/solids3020026 | Identificadores: | doi: 10.3390/solids3020026 issn: 2673-6497 |
Aparece en las colecciones: | (CFMAC-IEM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
Crystal_Structure_of_Copper.pdf | 3,42 MB | Adobe PDF | Visualizar/Abrir | |
solids-03-00026-s001.zip | 476,95 kB | Unknown | Visualizar/Abrir |
CORE Recommender
Page view(s)
34
checked on 24-abr-2024
Download(s)
34
checked on 24-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
Este item está licenciado bajo una Licencia Creative Commons