Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents DOI Creative Commons
Adrian Malinowski, Maciej Śmiechowski

Crystals, Journal Year: 2024, Volume and Issue: 14(7), P. 641 - 641

Published: July 11, 2024

Deep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods at the forefront deciphering structure dynamics. Type IV DESs, composed metal chloride a hydrogen bond donor, among less studied systems when it comes understanding molecular level. An important example such is zinc chloride–urea DES, already used in chemical synthesis, others. In this paper, ZnCl2(urea)2 crystal from point view its structure, infrared spectrum, intermolecular interactions using periodic density functional theory non-covalent analysis. The two main structural motifs found strongly hydrogen-bonded urea dimer assisted by anions tetrahedral Zn(II) coordination complex. interlocking parallel planes connected via cations. spectrum lengths suggest partially covalent character Zn−Cl bonds. present analysis has far-reaching implications for liquid ZnCl2–urea explaining fluidity, expected microstructure, low conductivity,

Language: Английский

Toward Green and Sustainable Zinc‐Ion Batteries: The Potential of Natural Solvent‐Based Electrolytes DOI Creative Commons
G. Yaman, Recep Yüksel

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 21, 2025

Abstract Zinc‐ion batteries (ZIBs) are emerged as a promising alternative for sustainable energy storage, offering advantages such safety, low cost, and environmental friendliness. However, conventional aqueous electrolytes in ZIBs face significant challenges, including hydrogen evolution reaction (HER) zinc dendrite formation, compromising their cycling stability safety. These limitations necessitate innovative electrolyte solutions to enhance ZIB performance while maintaining sustainability. This review explores the potential of natural solvent‐based derived from renewable biodegradable resources. Natural deep eutectic solvents (DES), bio‐ionic liquids, biomass‐derived organic compounds present unique advantages, wider electrochemical window, reduced HER activity, controlled deposition. Examples include DESs based on choline chloride (ChCl), glycerol‐based systems, γ‐valerolactone (GVL) aloe vera, demonstrating improved suppression. Despite promise, challenges high viscosity, scalability remain critical barriers commercialization. underscores need further research optimize solvent formulations, Zn anode compatibility, integrate these systems into practical applications. By addressing can pave way safer, high‐performance, environmentally ZIBs, particularly large‐scale storage systems.

Language: Английский

Citations

1
Regulating Zn2+ solvation structure in eutectic electrolytes for rechargeable zinc batteries DOI
Jingyun Jiang, Yu Chen, Yuanjian Li

et al.

Matter, Journal Year: 2025, Volume and Issue: 8(2), P. 101917 - 101917

Published: Feb. 1, 2025

Language: Английский

Citations

1
Cellulose Reinforced Eutectogel Electrolyte for Flexible Zinc-Ion Hybrid Supercapacitors DOI

Jiaming Zeng,

Yang Wang, Yang Wu

et al.

ACS Applied Energy Materials, Journal Year: 2024, Volume and Issue: 7(14), P. 6003 - 6012

Published: July 12, 2024

Citations

4
Knowledge-driven eutectic electrolyte design for Zn-ion batteries DOI
Jia‐Yaw Chang, Qianqian Liu, Chunwen Sun

et al.

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 161712 - 161712

Published: March 1, 2025

Language: Английский

Citations

0
Low-Cost “Water in Deep-Eutectic-Solvent” and Eutectogel Electrolytes for Long-Life High-Voltage Zinc-Ion Hybrid Supercapacitors DOI
Yapeng He, Xinyuan Bai,

Feng Jianming

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0
Solvation Dynamics and Microheterogeneity in Deep Eutectic Solvents DOI
Srijan Chatterjee, Tubai Chowdhury, Sayan Bagchi

et al.

The Journal of Physical Chemistry B, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 13, 2024

Deep eutectic solvents have attracted considerable attention due to their unique properties and potential replace conventional in diverse applications, such as catalysis, energy storage, green chemistry. However, despite broad use, the microscopic mechanisms governing solvation dynamics role of hydrogen bonding deep remain insufficiently understood. In this article, we present our contributions toward unravelling micro heterogeneity within by combining vibrational Stark spectroscopy two-dimensional infrared with molecular simulations. Our findings demonstrate how composition, constituents, addition water significantly influence heterogeneous network solvent these systems. These insights provide valuable guidance for design next-generation tailored specific applications. By integrating experimental computational approaches, work sheds light on intricate relationship between nanostructure solvents, ultimately paving way innovative advances design.

Language: Английский

Citations

2
Characterization of Manganese Acetate Hydrate Solutions and Their Potential Use for Energy Storage Applications DOI Creative Commons

Chalal Tachouaft,

Hamza Kahri, Liwen Wang

et al.

Batteries & Supercaps, Journal Year: 2024, Volume and Issue: 7(4)

Published: Jan. 17, 2024

Abstract While there have been numerous studies on the use of manganese acetate for electrode manufacture, scarce reports exist utility electrolytes energy storage applications. This study provides a comprehensive understanding thermal, volumetric, and transport properties hydrate solutions highlights their potential in Noteworthy thermal behaviours, phase transitions, strong interactions between cations, anions, water molecules are observed. Transport reveal salt concentration‘s impact (0.4–3.9 mol L −1 ) viscosity conductivity, with higher concentrations (>2.5 indicating increased interaction. The non‐Arrhenius behaviour conductivity is elucidated using Vogel‐Fulcher‐Tammann model, accentuating unique these compared to other aqueous due role ligands. formulated two‐electrode symmetric supercapacitors exhibit pseudocapacitive behaviour, reversible redox reactions (Mn 2+ /Mn 3+ ), concentration‐dependent specific capacitance. Manganese as an electrolyte leads dioxide deposition, its concentration affecting Molecular simulations support observed electrochemical performance, emphasizing Mn ‐acetate complexation. Long‐term cycling experiments demonstrate stability over 2000 cycles, stable capacitance 130 F g gradual coulombic efficiency decrease (~97 %). results this work underscore stable, effective green

Language: Английский

Citations

0
Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents DOI Creative Commons
Adrian Malinowski, Maciej Śmiechowski

Crystals, Journal Year: 2024, Volume and Issue: 14(7), P. 641 - 641

Published: July 11, 2024

Deep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods at the forefront deciphering structure dynamics. Type IV DESs, composed metal chloride a hydrogen bond donor, among less studied systems when it comes understanding molecular level. An important example such is zinc chloride–urea DES, already used in chemical synthesis, others. In this paper, ZnCl2(urea)2 crystal from point view its structure, infrared spectrum, intermolecular interactions using periodic density functional theory non-covalent analysis. The two main structural motifs found strongly hydrogen-bonded urea dimer assisted by anions tetrahedral Zn(II) coordination complex. interlocking parallel planes connected via cations. spectrum lengths suggest partially covalent character Zn−Cl bonds. present analysis has far-reaching implications for liquid ZnCl2–urea explaining fluidity, expected microstructure, low conductivity,

Language: Английский

Citations

0