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Electronegativity and chemical hardness of elements under pressure.
Dong, Xiao; Oganov, Artem R; Cui, Haixu; Zhou, Xiang-Feng; Wang, Hui-Tian.
Afiliação
  • Dong X; Key Laboratory of Weak-Light Nonlinear Photonics and School of Physics, Nankai University, Tianjin 300071, China.
  • Oganov AR; Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow 121205, Russia.
  • Cui H; College of Physics and Materials Science, Tianjin Normal University, Tianjin 300387, China.
  • Zhou XF; Center for High-Pressure Science, State Key Laboratory of Metastable Materials Science and Technology, School of Science, Yanshan University, Qinhuangdao 066004, China.
  • Wang HT; National Laboratory of Solid-State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093, China.
Proc Natl Acad Sci U S A ; 119(10): e2117416119, 2022 03 08.
Article em En | MEDLINE | ID: mdl-35238642
ABSTRACT
SignificanceOver the years, many unusual chemical phenomena have been discovered at high pressures, yet our understanding of them is still very fragmentary. Our paper addresses this from the fundamental level by exploring the key chemical properties of atoms-electronegativity and chemical hardness-as a function of pressure. We have made an appropriate modification to the definition of Mulliken electronegativity to extend its applicability to high pressures. The change in atomic properties, which we observe, allows us to provide a unified framework explaining (and predicting) many chemical phenomena and the altered behavior of many elements under pressure.
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Texto completo: 1 Bases de dados: MEDLINE Idioma: En Revista: Proc Natl Acad Sci U S A Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China

Texto completo: 1 Bases de dados: MEDLINE Idioma: En Revista: Proc Natl Acad Sci U S A Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China