Electronegativity and chemical hardness of elements under pressure

Xiao Dong 1
A. R. Oganov 2
Haixu Cui 3
Publication typeJournal Article
Publication date2022-03-02
scimago Q1
wos Q1
SJR3.414
CiteScore16.5
Impact factor9.1
ISSN00278424, 10916490
Multidisciplinary
Abstract
Significance

Over 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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GOST |
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GOST Copy
Dong X. et al. Electronegativity and chemical hardness of elements under pressure // Proceedings of the National Academy of Sciences of the United States of America. 2022. Vol. 119. No. 10.
GOST all authors (up to 50) Copy
Dong X., Oganov A. R., Cui H., Zhou X., Wang H. Electronegativity and chemical hardness of elements under pressure // Proceedings of the National Academy of Sciences of the United States of America. 2022. Vol. 119. No. 10.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1073/pnas.2117416119
UR - https://doi.org/10.1073/pnas.2117416119
TI - Electronegativity and chemical hardness of elements under pressure
T2 - Proceedings of the National Academy of Sciences of the United States of America
AU - Dong, Xiao
AU - Oganov, A. R.
AU - Cui, Haixu
AU - Zhou, Xiang-Feng
AU - Wang, Hui-Tian
PY - 2022
DA - 2022/03/02
PB - Proceedings of the National Academy of Sciences (PNAS)
IS - 10
VL - 119
PMID - 35238642
SN - 0027-8424
SN - 1091-6490
ER -
BibTex
Cite this
BibTex (up to 50 authors) Copy
@article{2022_Dong,
author = {Xiao Dong and A. R. Oganov and Haixu Cui and Xiang-Feng Zhou and Hui-Tian Wang},
title = {Electronegativity and chemical hardness of elements under pressure},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
year = {2022},
volume = {119},
publisher = {Proceedings of the National Academy of Sciences (PNAS)},
month = {mar},
url = {https://doi.org/10.1073/pnas.2117416119},
number = {10},
doi = {10.1073/pnas.2117416119}
}