Cosolvent electrolyte chemistries for high-voltage potassium-ion battery.

Authors: Shen, Mengkang¹ (AUTHOR), Dai, Zhongqin² (AUTHOR), Fan, Ling¹ (AUTHOR), Fu, Hongwei¹ (AUTHOR), Geng, Yuanhui¹ (AUTHOR), Guan, Jie¹ (AUTHOR), Sun, Fanfei^3,4 (AUTHOR), Rao, Apparao M⁵ (AUTHOR), Zhou, Jiang⁶ (AUTHOR), Lu, Bingan^1,7 (AUTHOR)

Source: National Science Review. Nov2024, Vol. 11 Issue 11, p1-11. 11p.

Subject Terms: *ELECTROLYTES, *SOLVATION, *ELECTRODES, *OXIDATION, *STORAGE batteries, *POTASSIUM ions

On the nature of initial solvation in bulk polar liquids: Gaussian or exponential?

Authors: Chawla, Sakshi¹ (AUTHOR), Dhamija, Shaina¹ (AUTHOR), Bhutani, Garima¹ (AUTHOR), De, Arijit Kumar¹ (AUTHOR) akde@iisermohali.ac.in

Source: Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-11. 11p.

Subject Terms: *MOLECULAR dynamics, *SOLVATION, *TIME measurements, *FLUORESCENCE, *DATA analysis

Redox potentials in ionic liquids: Anomalous behavior?

Authors: Renfro, Chloe A.¹ (AUTHOR), Hymel, John H.¹ (AUTHOR), McDaniel, Jesse G.¹ (AUTHOR) mcdaniel@gatech.edu

Source: Journal of Chemical Physics. 5/28/2024, Vol. 160 Issue 20, p1-16. 16p.

Subject Terms: *SOLVATION, *REDUCTION potential, *IONIC liquids, *FUSED salts, *IONS

Ion solvation free energy calculations based on first-principles molecular dynamics thermodynamic integration.

Authors: Lin, Chao¹ (AUTHOR), He, Xiaojun² (AUTHOR), Xi, Cong³ (AUTHOR), Zhang, Qianfan¹ (AUTHOR) qianfan@buaa.edu.cn, Wang, Lin-Wang⁴ (AUTHOR) lwwang@semi.ac.cn

Source: Journal of Chemical Physics. 5/14/2024, Vol. 160 Issue 18, p1-11. 11p.

Subject Terms: *MOLECULAR dynamics, *SOLVATION, *CRYSTAL defects, *ION energy, *IONS, *SMALL molecules

Interactions of adsorbing cosolutes with hydrophobic hydration shells.

Authors: Bharadwaj, Swaminath^1,2 (AUTHOR) swaminath.bharadwaj@snu.edu.in, Tripathy, Madhusmita¹ (AUTHOR) tripathy@cpc.tu-darmstadt.de, van der Vegt, Nico F. A.¹ (AUTHOR)

Source: Journal of Chemical Physics. 4/28/2024, Vol. 160 Issue 16, p1-9. 9p.

Subject Terms: *HYDRATION, *SOLVATION, *HYDROPHOBIC interactions, *SMALL molecules, *ENERGY density, *WATER analysis, *AQUAPORINS

Prediction of hydration energies of adsorbates at Pt(111) and liquid water interfaces using machine learning.

Authors: Shi, Jiexin, Zhang, Xiaohong, Punyapu, Venkata Rohit, Getman, Rachel B.

Source: Journal of Chemical Physics; 2/28/2025, Vol. 162 Issue 8, p1-16, 16p

Subject Terms: THERMODYNAMICS, STANDARD deviations, MACHINE learning, MOLECULAR theory, MULTISCALE modeling, SOLVATION

Nanoscale Investigation of Water Dynamics in Transformer Insulating Oil: Mechanisms of Droplet Nucleation and Growth

Authors: Wang, S., Zhang, Q., Wu, Z., Sun, Y., Li, X., Fan, Y.

Source: IEEE Transactions on Dielectrics and Electrical Insulation IEEE Trans. Dielect. Electr. Insul. Dielectrics and Electrical Insulation, IEEE Transactions on. 32(1):289-296 Feb, 2025

S.O.S: Shape, orientation, and size tune solvation in electrocatalysis.

Authors: Serva, Alessandra¹ (AUTHOR) alessandra.serva@sorbonne-universite.fr, Pezzotti, Simone² (AUTHOR) simone.pezzotti@rub.de

Source: Journal of Chemical Physics. 3/7/2024, Vol. 160 Issue 9, p1-7. 7p.

Subject Terms: *SOLVATION, *GIBBS' energy diagram, *ELECTROCATALYSIS, *MOLECULAR dynamics, *ELECTROCHEMISTRY

Solvation, Hydration, and Counterion Effect on the Formation of Ag(I) Complexes with the Dipodal Ligand 2,6-Bis[(imidazol-2-yl)thiomethyl]naphthalene.

Authors: Maria Losus, Renny¹, Chaudhary, Simran¹, Dobrzańska, Liliana¹, lianger@umk.pl

Source: Crystals (2073-4352); Mar2024, Vol. 14 Issue 3, p248, 10p

Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods.

Authors: Kalvoda, Tadeáš¹ (AUTHOR), Martinek, Tomas¹ (AUTHOR), Jungwirth, Pavel¹ (AUTHOR), Rulíšek, Lubomír¹ (AUTHOR) lubomir.rulisek@uochb.cas.cz

Source: Journal of Chemical Physics. 2/28/2024, Vol. 160 Issue 8, p1-9. 9p.

Subject Terms: *SOLVATION, *MOLECULAR dynamics, *RADIAL distribution function, *HYDRATION, *GIBBS' free energy, *DENSITY functional theory

Structure and Thermodynamics of Li + Ar n Clusters beyond the Second Solvation Shell.

Authors: Marques, Jorge M. C.¹ (AUTHOR) qtmarque@ci.uc.pt, Prudente, Frederico V.² (AUTHOR) qtmarque@ci.uc.pt

Source: Symmetry (20738994). Feb2024, Vol. 16 Issue 2, p229. 14p.

Subject Terms: *THERMODYNAMICS, *SOLVATION, *ATOMIC clusters, *GLOBAL optimization, *LOW temperatures, *ATOMS

A Gaussian field approach to the solvation of spherical ions in electrolyte solutions.

Authors: Xiao, Tiejun¹ (AUTHOR), Song, Xueyu² (AUTHOR) xsong@iastate.edu

Source: Journal of Chemical Physics. 1/21/2024, Vol. 160 Issue 3, p1-9. 9p.

Subject Terms: *ELECTROLYTE solutions, *SOLVATION, *PERMITTIVITY, *IONS, *ENERGY density

How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model.

Authors: Le, D. P. Ngan¹ (AUTHOR) nle51@student.gsu.edu, Hastings, Gary^1,2 (AUTHOR) ghastings@gsu.edu, Gozem, Samer¹ (AUTHOR) sgozem@gsu.edu

Source: Molecules. Jan2024, Vol. 29 Issue 2, p520. 12p.

Subject Terms: *MOLECULAR structure, *SOLVATION, *SOLVENTS, *FOURIER transform infrared spectroscopy, *CONDENSED matter, *INTERMOLECULAR interactions, *INFRARED absorption

Solvation Engineering via Fluorosurfactant Additive Toward Boosted Lithium-Ion Thermoelectrochemical Cells.

Authors: Xu, Yinghong¹ (AUTHOR), Li, Zhiwei¹ (AUTHOR), Wu, Langyuan¹ (AUTHOR), Dou, Hui¹ (AUTHOR), Zhang, Xiaogang¹ (AUTHOR) azhangxg@nuaa.edu.cn

Source: Nano-Micro Letters. 1/4/2024, Vol. 16 Issue 1, p1-16. 16p.

Subject Terms: *SOLVATION, *ENERGY conversion, *ENERGY density, *ENERGY storage, *IONIC structure, *SEEBECK coefficient

Abraham general solvation parameter model: intramolecular hydrogen bond formation and its effect on the A- and B-descriptor values of select tetracycline derivatives.

Authors: Yao, Emily¹ (AUTHOR), Acree, William E.¹ (AUTHOR) acree@unt.edu

Source: Physics & Chemistry of Liquids. Jan/Feb2024, Vol. 62 Issue 1, p25-33. 9p.

Subject Terms: *HYDROGEN bonding, *SOLVATION, *TETRACYCLINE, *TETRACYCLINES, *CARBONYL group, *ETHYL acetate, *BUTANOL

Musk ketone solubility in binary systems ethyl acetate with methanol, ethanol, and isopropanol: preferential solvation according to the inverse Kirkwood–Buff integrals method.

Authors: Noubigh, Adel¹ (AUTHOR) adel.noubigh@nbu.edu.sa, Abderrabba, Manef² (AUTHOR)

Source: Physics & Chemistry of Liquids. Jan/Feb2024, Vol. 62 Issue 1, p44-55. 12p.

Subject Terms: *KETONES, *SOLVATION, *ISOPROPYL alcohol, *ETHYL acetate, *ETHANOL, *SOLUBILITY, *METHANOL

In Situ Constructing Solid Electrolyte Interphase and Optimizing Solvation Shell for a Stable Zn Anode.

Authors: Xu, Xuena¹, Zhu, Xiang¹, Li, Shan¹, Xu, Yan¹, Sun, Limei¹, Shi, Liluo¹, Song, Ming¹, mings@xzit.edu.cn

Source: Journal of Electronic Materials; Jan2024, Vol. 53 Issue 1, p288-297, 10p

Local charge homogenization strategy enables ultra-high voltage tolerance of polyether electrolytes for 4.7 V lithium metal batteries.

Authors: Wu, Yuanlong¹, Luo, Piao¹, Su, Kexin¹, Yu, Mao², Song, Xin³, Huang, Lianzhan¹, Zhang, Shaocong⁴, Song, Huiyu¹, Du, Li¹, Liu, Weishu², Cui, Zhiming¹

Source: National Science Review; Feb2025, Vol. 12 Issue 2, p1-11, 11p

Enhancing battery longevity by regulating the solvation chemistry of organic iodide.

Authors: Shang, Wenshuo¹ (AUTHOR), Chen, Qianwu¹ (AUTHOR), Chen, Song¹ (AUTHOR), Zhang, Jintao¹ (AUTHOR) jtzhang@sdu.edu.cn

Source: Angewandte Chemie. 1/27/2025, Vol. 137 Issue 5, p1-8. 8p.

Subject Terms: *SOLVATION, *ORGANOIODINE compounds, *CHEMICAL kinetics, *OXIDATION-reduction reaction, *ENERGY transfer, *ENERGY storage, *STORAGE batteries

Entropy‐Repaired Solvation Structure Strategy for High‐Efficiency Phosphate‐Based Localized High‐Concentration Electrolytes in Potassium Batteries.

Authors: Yuan, Zeyu¹ (AUTHOR), Liao, Jiaying¹ (AUTHOR), Song, Lili¹ (AUTHOR), Chen, Anni¹ (AUTHOR), Su, Jiling¹ (AUTHOR), Wang, Jie¹ (AUTHOR), Zhou, Xiaosi¹ (AUTHOR) zhouxiaosi@njnu.edu.cn

Source: Angewandte Chemie. 1/27/2025, Vol. 137 Issue 5, p1-11. 11p.

Subject Terms: *ELECTROLYTES, *SOLVATION, *ELECTRODE efficiency, *CHEMICAL properties, *STORAGE batteries