Density functional theory study of superoxide ions as impurities in alkali halides
Author:
Affiliation:
1. Department of Energy Conversion and Storage
2. Technical University of Denmark
3. 2800 Kgs. Lyngby
4. Denmark
Abstract
An exhaustive mapping of the orientation of the unpaired electron from a superoxide impurity in alkali halides using DFT.
Funder
Villum Fonden
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00719F
Reference52 articles.
1. High-Energy-Density Metal-Oxygen Batteries: Lithium-Oxygen Batteries vs Sodium-Oxygen Batteries
2. Potassium Superoxide: A Unique Alternative for Metal–Air Batteries
3. Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study
4. A rechargeable room-temperature sodium superoxide (NaO2) battery
5. A lithium–oxygen battery based on lithium superoxide
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. The Effect of Instability of KCl:Na Single Crystals;Crystals;2023-02-20
2. Correction: Density functional theory study of superoxide ions as impurities in alkali halides;Physical Chemistry Chemical Physics;2020
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