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Theoretical Analysis of Interactions between Potassium Ions and Organic Electrolyte Solvents: A Comparison with Lithium, Sodium, and Magnesium Ions

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TLDR
In this paper, the authors investigated the interactions between K ions and organic electrolyte solvents for application in nonaqueous K-ion batteries, which have recently drawn interest as novel rechargeable batteries.
Abstract
Ion–solvent interactions play a crucial role in secondary battery systems: the desolvation of ions at an electrode/electrolyte interface can be the rate-determining step of a battery reaction, for instance. The present theoretical study investigates the interactions between K ions and organic electrolyte solvents for application in non-aqueous K-ion batteries, which have recently drawn interest as novel rechargeable batteries. Compared to Li, Na, and Mg ions, K ions display the lowest interaction energy, reflecting the large ionic radius and weak Lewis acidity of K. The weak interaction of K ions with solvents is consistent with the high rate capability exhibited by K-ion batteries and the relatively low solubility of K-ion salts observed experimentally.

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Advances and issues in developing salt-concentrated battery electrolytes

TL;DR: The progress made and the road ahead for salt-concentrated electrolytes, an emerging and promising electrolyte candidate are reviewed, including a multi-angle analysis of their advantages and disadvantages together with future perspectives.
Journal ArticleDOI

Research Development on K-Ion Batteries.

TL;DR: This review comprehensively covering the studies on electrochemical materials for KIBs, including electrode and electrolyte materials and a discussion on recent achievements and remaining/emerging issues includes insights into electrode reactions and solid-state ionics and nonaqueous solution chemistry.
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Recent Progress and Perspective in Electrode Materials for K-Ion Batteries

TL;DR: A comprehensive review of ongoing materials research on nonaqueous K-ion batteries is provided in this paper, where the status of new materials discovery and insights to help understand the K-storage mechanisms are provided.
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Emerging Non-Aqueous Potassium-Ion Batteries: Challenges and Opportunities

TL;DR: In this article, the authors focus on potentially scalable, inexpensive electrode materials and the understanding of their cycle-life-property correlations for nonaqueous potassium-ion batteries, i.e., hard carbon as anode and Prussian white analogues as cathode.
References
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Journal ArticleDOI

Density‐functional thermochemistry. III. The role of exact exchange

TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
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Density-functional exchange-energy approximation with correct asymptotic behavior.

TL;DR: This work reports a gradient-corrected exchange-energy functional, containing only one parameter, that fits the exact Hartree-Fock exchange energies of a wide variety of atomic systems with remarkable accuracy, surpassing the performance of previous functionals containing two parameters or more.
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

TL;DR: In this paper, a detailed study of correlation effects in the oxygen atom was conducted, and it was shown that primitive basis sets of primitive Gaussian functions effectively and efficiently describe correlation effects.
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General atomic and molecular electronic structure system

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