<sup>23</sup>Na‐NMR Data Based Donor Number and Their Correlation with Solvatochromic Parameters in Binary Solvent Mixtures

Harifi‐Mood, Ali Reza; Sharifi, Fereshteh; Bijanzadeh, Hamid Reza

doi:10.1002/slct.202003441

Cited by 6 publications

(6 citation statements)

References 18 publications

(36 reference statements)

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“…In view of the strong electronegativity of F (−F could be regarded as a stable leaving group), it is inferred that the C–F bond could be weakened if it is exposed to nucleophilic environments . Meanwhile, high DN (essentially equals to Lewis base, and closely related to nucleophilicity) solvents could not only bring into more solvated Li + -containing species hence pushing the reaction thoroughly but also increase the capacity and reduce the discharge overpotential. , The DN values were obtained by linear fitting of 23 Na NMR shift, as shown in Figure a. , Notably, DME and DMP are featured by their higher nucleophilicity and DN values, possessing the potential of improving electrochemical performance of Li||CF x battery …”

Section: Resultsmentioning

confidence: 99%

“…26,54 The DN values were obtained by linear fitting of 23 Na NMR shift, as shown in Figure 7a. 25,26 Notably, DME and DMP are featured by their higher nucleophilicity and DN values, possessing the potential of improving electrochemical performance of Li||CF x battery. 19 Likewise, it is speculated that the energy changes around the defluorination discharge process are directly related to the discharge voltage.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…Donor number (DN) values of solvents were calculated by eq : , Where 23 δ is the chemical shift of 23 Na in nuclear magnetic resonance (NMR) spectra. 23 Na NMR was tested in a 10 mM solution of sodium bis(trifluoromethylsulfonyl)imide (NaTFSI) in different solvents, and by a digital FT-NMR spectrometer (Fourier Transform (FT), Bruker Avance Neo 500, Switzerland).…”

Section: Methodsmentioning

confidence: 99%

“…Characterizations. Donor number (DN) values of solvents were calculated by eq 3: 25,26 DN 2.106 32.74…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

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Substantially Promoted Energy Density of Li||CF_x Primary Battery Enabled by Li⁺-DMP Coordinated Structure

Xiao

Jian²,

et al. 2022

ACS Sustainable Chem. Eng.

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Carbon fluoride (CFx) has attracted worldwide attention due to its high theoretical energy density (over 2000 Wh kg −1 ). However, the large electrochemical overpotential as resulted from the strong C−F covalent bond limits the full utilization of the intrinsic energy from CFx. In this work, a N,N-dimethylpropionamide (DMP) (along with propylene carbonate (PC) cosolvent)based electrolyte is designed to boost the discharge plateau of lithium (Li)||CF x batteries. It is revealed that DMP molecules have powerful nucleophilicity and a strong solvating ability with Li + ions by its high donor number (DN), which significantly weakens the C−F covalent bond and thus promotes the discharge voltage plateau and energy density. The optimized electrolyte, 1 M lithium tetrafluoroborate (LiBF 4 ) dissolved in DMP and PC (8:2 in volume), achieves largely elevated discharge voltage plateau of 2.64 V (vs 2.41 V for carbonate-based electrolyte) and the superior energy density up to 2085 Wh kg −1 (vs 1888 Wh kg −1 for carbonate-based electrolyte) at a current density of 10 mA g −1 . The superior electrochemical performance of CF x in the optimized electrolyte is further confirmed in pouch-type cells. Meanwhile, the CF x shows less electrode volume expansion, and good calendar life during storage at 60 °C in the optimized electrolyte, which holds great promise for practical applications.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

“…Characterizations. Donor number (DN) values of solvents were calculated by eq 3: 25,26 DN 2.106 32.74…”

Section: ■ Experimental Sectionmentioning

confidence: 99%

See 2 more Smart Citations

Substantially Promoted Energy Density of Li||CF_x Primary Battery Enabled by Li⁺-DMP Coordinated Structure

Xiao

Jian²,

et al. 2022

ACS Sustainable Chem. Eng.

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“…As shown in Table S1, most alcohols have a higher Gutmann donor number than H 2 O (18) due to the higher electron density of OH in alcohols, e.g., methanol (20.4), ethylene glycol (21.8), 1-butanol (22.1), and so on [37]. Similarly, PG as a kind of alcohol with OH should possess a higher donor number than water and preferentially interact with cations.…”

Section: Introductionmentioning

confidence: 99%

Modulated bonding interaction in propanediol electrolytes toward stable aqueous zinc-ion batteries

Wei

Peng

et al. 2021

Sci. China Mater.

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Aqueous Zn-based batteries are promising energy storage technology due to their low cost and high safety. However, the solvation structure of electrolyte leads to dendrite growth, parasitic reactions, and poor low-temperature properties, limiting their practical application. Here, we report 1,2-propanediol (PG) electrolyte with a modulated solvation structure, which can suppress Zn dendrite growth and parasitic reactions. PG can break the interaction between H 2 O molecules and the interaction between H 2 O and Zn 2+ due to the higher electron density of O and higher Gutmann donor number of PG than those of H 2 O, which increase the H-O covalent bond strength, decrease the water activity and freezing point, and change the solvation structure of Zn 2+ . As a result, the battery exhibits high cycling stability (Zn//Zn battery cycle over 1000 h), high reversibility (Coulombic efficiency of 98.9%), high capacity properties (specific capacity of 225 mA h g −1 at 5 A g −1 , and capacity retention of 92.6% for 5000 cycles), and excellent anti-freezing properties (specific capacity of 190 mA h g −1 at −20°C over 500 cycles). This work provides a promising strategy for the development of highperformance aqueous zinc-ion batteries.

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Enhanced Dissolution of Metal Oxides in Hydroxylated Solvents – Towards Application in Lithium‐Ion Battery Leaching

et al. 2023

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The recovery of critical metals from spent lithium‐ion batteries (LIBs) is rapidly growing. Current methods are energy‐intensive and hazardous, while alternative solvent‐based strategies require more studies on their ‘green’ character, metal dissolution mechanism and industrial applicability. Herein, we bridged this gap by studying the effect of dilute HCl solutions in hydroxylated solvents to dissolve Co, Ni and Mn oxides. Ethylene glycol emerged consistently as the most effective solvent, dissolving up to four times more Co and Ni oxides than using aqueous acidic media, attributed to improved chloro‐complex formation and solvent effects. These effects had a significant contribution compared to acid type and concentration. The highest Co dissolution (0.27 M) was achieved in 0.5 M HCl in 25 % (v/v) glycerol in water, using less acid and a significant amount of water compared to other solvent systems, as well as mild temperatures (40 °C). This solvent was applied to dissolve battery cathode material, achieving 100 % dissolution of Co and Mn and 94 % dissolution of Ni, following what was concluded to be a mixed mechanism. These results offer a simple alternative to current leaching processes, reducing acid consumption, enhancing atomic efficiency, and paving the way for optimized industrial hydrometallurgical processes leaning to ‘greener’ strategies.

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²³Na‐NMR Data Based Donor Number and Their Correlation with Solvatochromic Parameters in Binary Solvent Mixtures

Cited by 6 publications

References 18 publications

Substantially Promoted Energy Density of Li||CF_x Primary Battery Enabled by Li⁺-DMP Coordinated Structure

Substantially Promoted Energy Density of Li||CF_x Primary Battery Enabled by Li⁺-DMP Coordinated Structure

Modulated bonding interaction in propanediol electrolytes toward stable aqueous zinc-ion batteries

Enhanced Dissolution of Metal Oxides in Hydroxylated Solvents – Towards Application in Lithium‐Ion Battery Leaching

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23Na‐NMR Data Based Donor Number and Their Correlation with Solvatochromic Parameters in Binary Solvent Mixtures

Cited by 6 publications

References 18 publications

Substantially Promoted Energy Density of Li||CFx Primary Battery Enabled by Li+-DMP Coordinated Structure

Substantially Promoted Energy Density of Li||CFx Primary Battery Enabled by Li+-DMP Coordinated Structure

Modulated bonding interaction in propanediol electrolytes toward stable aqueous zinc-ion batteries

Enhanced Dissolution of Metal Oxides in Hydroxylated Solvents – Towards Application in Lithium‐Ion Battery Leaching

Contact Info

Product

Resources

About

²³Na‐NMR Data Based Donor Number and Their Correlation with Solvatochromic Parameters in Binary Solvent Mixtures

Substantially Promoted Energy Density of Li||CF_x Primary Battery Enabled by Li⁺-DMP Coordinated Structure

Substantially Promoted Energy Density of Li||CF_x Primary Battery Enabled by Li⁺-DMP Coordinated Structure