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

Crystals, Год журнала: 2024, Номер 14(7), С. 641 - 641

Опубликована: Июль 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,

Язык: Английский

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

Small, Год журнала: 2025, Номер unknown

Опубликована: Янв. 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.

Язык: Английский

Процитировано

1

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

и другие.

Matter, Год журнала: 2025, Номер 8(2), С. 101917 - 101917

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

1

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

Jiaming Zeng,

Yang Wang, Yang Wu

и другие.

ACS Applied Energy Materials, Год журнала: 2024, Номер 7(14), С. 6003 - 6012

Опубликована: Июль 12, 2024

Процитировано

4

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

Jianming Feng

и другие.

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0

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

и другие.

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 161712 - 161712

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0

Low-cost “water in deep-eutectic-solvent” and eutectogel electrolytes for high-performance zinc-ion hybrid supercapacitors DOI
Yapeng He, Xinyuan Bai,

Jianming Feng

и другие.

Journal of Energy Storage, Год журнала: 2025, Номер 128, С. 117179 - 117179

Опубликована: Май 29, 2025

Язык: Английский

Процитировано

0

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

и другие.

The Journal of Physical Chemistry B, Год журнала: 2024, Номер unknown

Опубликована: Дек. 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.

Язык: Английский

Процитировано

2

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

Chalal Tachouaft,

Hamza Kahri, Liwen Wang

и другие.

Batteries & Supercaps, Год журнала: 2024, Номер 7(4)

Опубликована: Янв. 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

Язык: Английский

Процитировано

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, Год журнала: 2024, Номер 14(7), С. 641 - 641

Опубликована: Июль 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,

Язык: Английский

Процитировано

0