Physical and numerical aspects of sodium ion solvation free energies <i>via</i> the cluster-continuum model-Reference-Cited by-同舟云学术

Physical and numerical aspects of sodium ion solvation free energies via the cluster-continuum model

Published:2022 Issue:48 Volume:24 Page:29927-29939
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Otlyotov Arseniy A.¹,Itkis Daniil¹²^ORCID,Yashina Lada V.¹²^ORCID,Cavallo Luigi³^ORCID,Minenkov Yury¹⁴^ORCID

Affiliation:

1. N.N. Semenov Federal Research Center for Chemical Physics RAS, Kosygina Street 4, 119991 Moscow, Russia

2. Lomonosov Moscow State University, Leninskie Gory 1, Bld. 3, 119991 Moscow, Russia

3. KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology, Thuwal-23955-6900, Saudi Arabia

4. Joint Institute for High Temperatures, Russian Academy of Sciences, 13-2 Izhorskaya Street, Moscow 125412, Russia

Abstract

Na+ solvation free energies are obtained in 8 solvents through the cluster-continuum approach. The Pearson correlation coefficient between the predicted and experimental data is 0.82, and the mean signed/unsigned errors are 0.3/1.4 kcal mol−1.

Funder

Russian Science Foundation

King Abdullah University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP03583A

Reference122 articles.

1. Fundamentals, status and promise of sodium-based batteries

2. Sodium-based batteries: from critical materials to battery systems

3. Electrolytes and Interphases in Sodium‐Based Rechargeable Batteries: Recent Advances and Perspectives

4. Electrolyte Additives for Room-Temperature, Sodium-Based, Rechargeable Batteries

5. Research Development on Sodium-Ion Batteries

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