Advanced Functional Materials, volume 32, issue 17, pages 2112198

Discovery of Electrides in Electron‐Rich Non‐Electride Materials via Energy Modification of Interstitial Electrons

Publication typeJournal Article
Publication date2022-01-19
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor19
ISSN1616301X
Electronic, Optical and Magnetic Materials
Electrochemistry
Condensed Matter Physics
Biomaterials
Abstract

With the discovery of electrides, many electron‐rich materials are reported to be non‐electrides due to the lack of electride characteristics. Up to date, only a few studies have been done to alter the electronic structures of these materials. In this work, through atom replacement, the energy of interstitial electrons in a non‐electride Hf5Si3 is successfully modified and a hitherto unknown electride Ca3Hf2Si3 is obtained. It is revealed that the formation of the electride has a strong link to the neighboring cations of interstitial electrons. Moreover, an essential principle for the electride formation in the multi‐cations materials is proposed, and 34 dynamically stable ternary electrides are obtained through the proper atom replacement in 29 binary non‐electrides materials. The general realization of electrides in the electron‐rich non‐electrides can greatly expand the research scope of electrides.

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Li K. et al. Discovery of Electrides in Electron‐Rich Non‐Electride Materials via Energy Modification of Interstitial Electrons // Advanced Functional Materials. 2022. Vol. 32. No. 17. p. 2112198.
GOST all authors (up to 50) Copy
Li K., Blatov V. A., Wang J. Discovery of Electrides in Electron‐Rich Non‐Electride Materials via Energy Modification of Interstitial Electrons // Advanced Functional Materials. 2022. Vol. 32. No. 17. p. 2112198.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1002/adfm.202112198
UR - https://doi.org/10.1002%2Fadfm.202112198
TI - Discovery of Electrides in Electron‐Rich Non‐Electride Materials via Energy Modification of Interstitial Electrons
T2 - Advanced Functional Materials
AU - Wang, Junjie
AU - Li, Kun
AU - Blatov, Vladislav A.
PY - 2022
DA - 2022/01/19 00:00:00
PB - Wiley
SP - 2112198
IS - 17
VL - 32
SN - 1616-301X
ER -
BibTex |
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BibTex Copy
@article{2022_Li,
author = {Junjie Wang and Kun Li and Vladislav A. Blatov},
title = {Discovery of Electrides in Electron‐Rich Non‐Electride Materials via Energy Modification of Interstitial Electrons},
journal = {Advanced Functional Materials},
year = {2022},
volume = {32},
publisher = {Wiley},
month = {jan},
url = {https://doi.org/10.1002%2Fadfm.202112198},
number = {17},
pages = {2112198},
doi = {10.1002/adfm.202112198}
}
MLA
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MLA Copy
Li, Kun, et al. “Discovery of Electrides in Electron‐Rich Non‐Electride Materials via Energy Modification of Interstitial Electrons.” Advanced Functional Materials, vol. 32, no. 17, Jan. 2022, p. 2112198. https://doi.org/10.1002%2Fadfm.202112198.
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