Boron-based anion receptors in lithium-ion and metal-air batteries

Reddy, P. Anil; Blanco, Mario; Bugga, Ratnakumar V.

doi:10.1016/j.jpowsour.2013.09.028

Cited by 43 publications

(28 citation statements)

References 46 publications

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“…The structural uniqueness of boron compounds brings about enhanced lithium‐ion transportation, better thermal stability, and more stable solid electrolyte interface to the electrolytes for lithium batteries. [ 29 ] Thus far, various boron compounds have been extensively explored in lithium batteries.…”

Section: Introductionmentioning

confidence: 99%

Organoboron‐Containing Polymer Electrolytes for High‐Performance Lithium Batteries

Dai

Zheng

Wei

2021

Adv Funct Materials

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Polymer electrolytes (PEs) have been deemed as a sought‐after candidate for next‐generation lithium batteries. Substantial effort has been dedicated to exploiting PEs with improved comprehensive performance. Organoboron compounds have aroused great interest in PEs due to their distinct characteristics such as high design diversity, excellent thermal stability, promoting lithium‐ion transportation, and raising Li+ transference number. Organoboron compounds also have unique functions that facilitate the development of a stable solid electrolyte interface on the electrode surface. Their diversified structures and multiple functions are fundamentally associated with boron's hybridization form that determines the electronic structure of boron as a central atom. Here, recent advancement in organoboron‐containing PEs is reviewed in the aspect of polymer matrixes with boron moieties and organoboron additives for PEs. This review aims to highlight the diverse roles and high application potentials of organoboron compounds utilized in PEs. It is anticipated to provide a clear perspective of organoboron‐containing PEs and to spur more research interests for the exploration of safe and efficient lithium batteries.

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Section: Introductionmentioning

confidence: 99%

Organoboron‐Containing Polymer Electrolytes for High‐Performance Lithium Batteries

Dai

Zheng

Wei

2021

Adv Funct Materials

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“…[1][2][3][4][5][6][7][8][9][10] Experimental and electronic Density Functional Theory (DFT) studies of ABAs have been conducted to examine fluoride anion binding affinity, electrolyte conductivity, redox stability, and other properties critical to battery operations. ABAs are particularly useful in primary carbon monofluoride (CFx) batteries, 11 where they improve lithium fluoride (LiF) solubility and prevent this discharge product from clogging the cathode surface.…”

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confidence: 99%

“…Other proposed benefits of ABAs include F − scavenging that improves the solid electrolyte interphase (SEI) in lithium ion batteries, and oxygen anion transportation that can improve lithium-air battery charge/discharge reactions. 1 Boron-based anion receptors often contain strongly electronwithdrawing pentafluorophenyl (-C 6 F 5 ) groups. An often-cited example is tris(pentafluorophenyl)borane (TPFPB).…”

mentioning

confidence: 99%

“…1a and 3a ), with the boron atom bound to only one C 6 F 5 ring in addition to two oxygen termini of an electron-withdrawing oxalic group. 1,8 Using electronic structure Density Functional Theory (DFT) techniques, we predict that the ABAO gas phase F − binding free energy is comparable to many higher molecular weight anion receptors that have been examined with computational methods. 7 The gas phase energetics of a subset of ABAs taken from Ref.…”

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confidence: 99%

“…Here we apply DFT methods to examine how different ABA's and solvent molecules (S) affect the LiF dissolution free energy ( G diss ), according to LiF(solid) + ABA(solv ) Li + (solv) + ABA − F − (solv). [1] The dissolution process can be broken up into steps of a thermodynamic cycle (Fig. 2):…”

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confidence: 99%

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Density Functional Theory and Conductivity Studies of Boron-Based Anion Receptors

Leung¹,

Chaudhari²,

Rempe³

et al. 2015

J. Electrochem. Soc.

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Anion receptors that bind strongly to fluoride anions in organic solvents can help dissolve the lithium fluoride discharge products of primary carbon monofluoride (CFx) batteries, thereby preventing the clogging of cathode surfaces and improving ion conductivity. The receptors are also potentially beneficial to rechargeable lithium ion and lithium air batteries. We apply Density Functional Theory (DFT) to show that an oxalate-based pentafluorophenyl-boron anion receptor binds as strongly, or more strongly, to fluoride anions than many phenyl-boron anion receptors proposed in the literature. Experimental data shows marked improvement in electrolyte conductivity when this oxalate anion receptor is present. The receptor is sufficiently electrophilic that organic solvent molecules compete with F − for boron-site binding, and specific solvent effects must be considered when predicting its F − affinity. To further illustrate the last point, we also perform computational studies on a geometrically constrained boron ester that exhibits much stronger gas-phase affinity for both F − and organic solvent molecules. After accounting for specific solvent effects, however, its net F − affinity is about the same as the simple oxalate-based anion receptor. Finally, we propose that LiF dissolution in cyclic carbonate organic solvents, in the absence of anion receptors, is due mostly to the formation of ionic aggregates, not isolated F − ions.

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Inorganic‐Rich Interphase Induced by Boric Oxide Solid Acid toward Long Cyclic Solid‐State Lithium‐Metal Batteries

Cheng,

Cao,

et al. 2023

Adv Funct Materials

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Solid‐state electrolytes paired with lithium‐metal anodes is considered a next‐generation energy storage technology. However, the slow ionic transportation of the solid‐state electrolyte and the instability against the lithium‐metal anode impede their practical application. Here a cellulose separator modified with highly uniform boric oxide solid acid, contributing to a high transference number (0.75) and good ionic conductivity of 0.52 mS cm−1 due to the strengthened binding of the salt anions with this solid acid, is reported. Moreover, the boron ions with occupied interstitial sites can release free electrons to regulate the electrochemical dynamics of the electrolyte, in situ inducing the formation of Li2CO3/LiF‐rich heterostructured solid electrolyte interphase layer. The cellulose/B2O3‐based composite electrolyte paired with LiNi0.6Co0.2Mn0.2O2 (NCM622) cathode and Li‐metal anode displays a specific capacity of 155 mAh g−1 with a capacity retention of 92% in 200 cycles. Additionally, this electrolyte paired with high‐mass‐loading NCM622 cathode (10 mg cm−2) in a pouch cell can be stably operated for 50 cycles with a capacity retention of over 90%.

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Boron-based anion receptors in lithium-ion and metal-air batteries

Cited by 43 publications

References 46 publications

Organoboron‐Containing Polymer Electrolytes for High‐Performance Lithium Batteries

Organoboron‐Containing Polymer Electrolytes for High‐Performance Lithium Batteries

Density Functional Theory and Conductivity Studies of Boron-Based Anion Receptors

Inorganic‐Rich Interphase Induced by Boric Oxide Solid Acid toward Long Cyclic Solid‐State Lithium‐Metal Batteries

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