Prediction of ternary fluorooxoborates with coplanar triangular units [BOxF3−x]x− from first-principles
Author:
Affiliation:
1. CAS Key Laboratory of Functional Materials and Devices for Special Environments
2. Xinjiang Technical Institute of Physics & Chemistry
3. CAS
4. Xinjiang Key Laboratory of Electronic Information Materials and Devices
5. Urumqi 830011
Abstract
From first-principles prediction, we got all the basic structural units of fluorooxoborates, namely, tetrahedral elements [BOxF4−x] (x = 1,2,3) like [BO4] and triangular elements [BOxF3−x] (x = 1,2) like [BO3].
Funder
National Natural Science Foundation of China
Chinese Academy of Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
Inorganic Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/DT/D0DT00160K
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