Relating atomic energy, radius and electronegativity through compression

被引：27

作者：

Rahm, Martin ^{[1
]}

Erhart, Paul ^{[2
]}

Cammi, Roberto ^{[3
]}

机构：

[1] Chalmers Univ Technol, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden

[2] Chalmers Univ Technol, Dept Phys, SE-41296 Gothenburg, Sweden

[3] Univ Parma, Dept Chem Sci Life Sci & Environm Sustainabil, Parma, Italy

来源：

CHEMICAL SCIENCE | 2021年 / 12卷 / 07期

基金：

瑞典研究理事会;

关键词：

66;

D O I：

10.1039/d0sc06675c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：2397 / 2403

页数：8

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