Articles with "solvation structure" as a keyword



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Dilute Aqueous-Aprotic Hybrid Electrolyte Enabling a Wide Electrochemical Window through Solvation Structure Engineering.

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Published in 2021 at "Advanced materials"

DOI: 10.1002/adma.202102390

Abstract: The application of superconcentrated aqueous electrolytes has shown great potential in developing high-voltage electrochemical double-layer capacitors (EDLCs). However, the broadening of the electrochemical window of such superconcentrated electrolytes is at the expense of their high… read more here.

Keywords: window; solvation structure; hybrid electrolyte; electrochemical window ... See more keywords
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A Review on Regulating Li+ Solvation Structures in Carbonate Electrolytes for Lithium Metal Batteries

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Published in 2022 at "Advanced Materials"

DOI: 10.1002/adma.202206009

Abstract: Lithium metal batteries (LMBs) are considered promising candidates for next‐generation battery systems due to their high energy density. However, commercialized carbonate electrolytes cannot be used in LMBs due to their poor compatibility with lithium metal… read more here.

Keywords: solvation structure; metal batteries; solvation; carbonate electrolytes ... See more keywords
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Advanced Nonflammable Organic Electrolyte Promises Safer Li‐Metal Batteries: From Solvation Structure Perspectives

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Published in 2022 at "Advanced Materials"

DOI: 10.1002/adma.202206228

Abstract: Batteries with a Li‐metal anode have recently attracted extensive attention from the battery communities owing to their high energy density. However, severe dendrite growth hinders their practical applications. More seriously, when Li dendrites pierce the… read more here.

Keywords: organic electrolyte; solvation structure; metal batteries; safer metal ... See more keywords
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Optimized Solid Electrolyte Interphase and Solvation Structure of Potassium Ions in Carbonate Electrolytes for High-Performance Potassium Metal Batteries.

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Published in 2023 at "Small"

DOI: 10.1002/smll.202300411

Abstract: The introduction of electrolyte additives is one of the most potential strategies to improve the performance of potassium metal batteries (PMBs). However, designing an additive that can alter the K+ solvation shell and essentially inhibit… read more here.

Keywords: solvation structure; potassium; solvation; metal ... See more keywords
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Exploring preferential solvation, structure and dynamical properties or Rb+ in aqueous ammonia solution using ab initio Quantum Mechanical Charge Field (QMCF)

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Published in 2020 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2019.112027

Abstract: Abstract The QMCF simulation method has been performed to investigate the dynamics and solvation structure of Rb+ in aqueous ammonia. The LANL2DZ-ECP basis set was used for the ion and DZP (Dunning) for ligands, while… read more here.

Keywords: aqueous ammonia; solvation; ion; solvation structure ... See more keywords
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Investigation of the Relationship between Solvation Structure and Battery Performance in Highly Concentrated Aqueous Nitroxy Radical Catholyte

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Published in 2018 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.8b00915

Abstract: A new battery catholyte material composed of equimolar 4-methoxy-2,2,6,6-tetramethylpiperidine 1-oxyl (MT) and lithium bis(trifluoromethanesulfonyl) imide (LT) and its highly concentrated mixtures with water were studied using experiments and molecular dynamics simulations. It was found that… read more here.

Keywords: water; catholyte; highly concentrated; battery ... See more keywords
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Polymer Competitive Solvation Reduced Propylene Carbonate Cointercalation in a Graphitic Anode.

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Published in 2023 at "Nano letters"

DOI: 10.1021/acs.nanolett.2c04898

Abstract: Polymer electrolytes have been studied as an alternative to organic liquid electrolytes but suffer from low ionic conductivity. Propylene carbonate (PC) proves to be an interesting solvent but is incompatible with graphitic anodes due to… read more here.

Keywords: solvation structure; solvation; polymer competitive; propylene carbonate ... See more keywords
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Anion-Containing Solvation Structure Reconfiguration Enables Wide-Temperature Electrolyte for High-Energy-Density Lithium-Metal Batteries.

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Published in 2022 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.2c02221

Abstract: The demand for high-energy-density lithium batteries (LBs) that work under a wide temperature range (-40 to 60 °C) has been increasing recently. However, the conventional lithium hexafluorophosphate (LiPF6)-based ester electrolyte with a solvent-based solvation structure… read more here.

Keywords: temperature; lithium; solvation structure; electrolyte ... See more keywords
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Effect of Salt Concentration on the Interfacial Solvation Structure and Early Stage of Solid-Electrolyte Interphase Formation in Ca(BH4)2/THF for Ca Batteries.

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Published in 2023 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.3c01606

Abstract: The Ca2+ solvation structure at the electrolyte/electrode interface is of central importance to understand electroreduction stability and solid-electrolyte interphase (SEI) formation for the novel multivalent Ca battery systems. Using an exemplar electrolyte, the concentration-dependent solvation… read more here.

Keywords: formation; solid electrolyte; solvation structure; concentration ... See more keywords
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Regulating Solvation Structures Enabled by the Mesoporous Material MCM-41 for Rechargeable Lithium Metal Batteries.

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Published in 2022 at "ACS nano"

DOI: 10.1021/acsnano.2c08441

Abstract: For developing the reversible lithium metal anode, constructing an ideal solid electrolyte interphase (SEI) by regulating the Li+ solvation structure is a powerful way to overcome the major obstacles of lithium dendrite and limited Coulombic… read more here.

Keywords: regulating solvation; solvation structure; lithium; solvation ... See more keywords
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Solvation Structure Design for Aqueous Zn Metal Batteries.

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Published in 2020 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.0c09794

Abstract: Aqueous Zn batteries are promising energy storage devices for large-scale energy-storage due to low cost and high energy density. However, their lifespan is limited by the water decomposition and Zn dendrite growth. Here, we suppress… read more here.

Keywords: solvation; energy; h2o dmso; solvation structure ... See more keywords