Relating atomic energy, radius and electronegativity through compression

Chem Sci. 2021 Jan 28;12(7):2397-2403. doi: 10.1039/d0sc06675c.

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.