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.
Relating atomic energy, radius and electronegativity through compression / Rahm, Martin; Erhart, Paul; Cammi, Roberto. - In: CHEMICAL SCIENCE. - ISSN 2041-6520. - 12:7(2021), pp. 2397-2403. [10.1039/d0sc06675c]
Relating atomic energy, radius and electronegativity through compression
Cammi, Roberto
2021-01-01
Abstract
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.File in questo prodotto:
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