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Relating atomic energy, radius and electronegativity through compression

Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts – van-der-Waals (vdW) radii and electronegativity – and how these relate to the dr...

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Detalles Bibliográficos
Autores principales: Rahm, Martin, Erhart, Paul, Cammi, Roberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179346/
https://www.ncbi.nlm.nih.gov/pubmed/34164004
http://dx.doi.org/10.1039/d0sc06675c
Descripción
Sumario:Trends in atomic properties are well-established tools for guiding the analysis and discovery of materials. Here, we show how compression can reveal a long sought-after connection between two central chemical concepts – van-der-Waals (vdW) radii and electronegativity – and how these relate to the driving forces behind chemical and physical transformations.