Li<sub>3</sub>BN<sub>2</sub> as a Transition Metal Free, High Capacity Cathode for Li‐ion Batteries

Emani, Satyanarayana; Liu, Caihong; Ashuri, Maziar; Sahni, Karan; Wu, Jinpeng; Yang, Wanli; Németh, Károly; Shaw, Leon L.

doi:10.1002/celc.201801415

Cited by 10 publications

(9 citation statements)

References 32 publications

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“…Recently, considerable efforts have been made in the search for materials for an efficient anode of lithium ion batteries of a new generation, [19][20][21][22][23][24] including optimized porous Si-based anode materials, [22] anode materials in a flexible version, [23] and the use of silicide electrodes using a liquid electrolyte. In the anode structure under consideration during charging the lithium ions fit into the gaps between the silicene sheets-a process known as intercalation.…”

Section: Introductionmentioning

confidence: 99%

“…LiPON, lithium phosphorus oxynitride, is an amorphous glassy material that can be used as an electrolyte material in thin film lithiumion batteries. Recently, considerable efforts have been made in the search for materials for an efficient anode of lithium ion batteries of a new generation, [19][20][21][22][23][24] including optimized porous Si-based anode materials, [22] anode materials in a flexible version, [23] and the use of silicide electrodes using a liquid electrolyte. [24] A distinctive feature of this work is the study of the functioning of a thin-film silicon anode at the atomic level.…”

Section: Introductionmentioning

confidence: 99%

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Computer Test of a New Silicene Anode for Lithium‐Ion Batteries

Галашев

Ivanichkina

2019

ChemElectroChem

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The main requirements for lithium-ion batteries (LIB) of the new generation are low cost, safety, short charge time, high energy and power. This article is devoted to the testing of a new anode design, which is based on the use of silicene on an Al(111) substrate. The processes of intercalation and deintercalation of lithium in a channel formed by silicene sheets in the presence of an electric field are investigated. Sheets of perfect silicene and silicene with vacancy defects are used. The largest number of Li ions is intercalated into the channel with bivacancies. The lithium density profiles in the channels, the diffusion coeffi-cients of lithium atoms, their energy, the angular distributions of the nearest neighbors, and the distributions of the most significant stresses in the silicene sheets are determined. On average, a silicene channel with vacancy-type defects on the Al (111) substrate is characterized by a lower charge capacity and lower stresses in silicene than a corresponding channel on an Ag(111) substrate. We expect that this article will contribute to the further selection of the substrate material for the LIB silicene anode.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Computer Test of a New Silicene Anode for Lithium‐Ion Batteries

Галашев

Ivanichkina

2019

ChemElectroChem

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“…These N-holes are generated by the strongly electron withdrawing character of the •OBF − 3 radicals that withdraw almost a whole electron charge from the two N-s per formula unit [43]. We have recently pointed out the existence and charge storage ability of similar N-hole states in Li 3 BN 2 cathode active species [82]. The electronic conductivity of Li[(BN) 2 OBF 3 ] is expected to be close to that of (BN) 2 OSO 2 F, which was measured to be 1.5 S/cm [30].…”

Section: Basal Plane Functionalization In H-bn Cathodes and Elsewherementioning

confidence: 99%

Radical Anion Functionalization of Two-Dimensional Materials as a Means of Engineering Simultaneously High Electronic and Ionic Conductivity Solids

Nemeth

2020

Preprint

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A radical anion based functionalization of the basal plane of two-dimensional (2D) materials is proposed in the present study. Simple charge neutral radical functionalizations typically detach from the basal planes upon reduction. For example, epoxy oxygens irreversibly detach from graphene when reduced by an alkali metal. The radical anion functionalization of 2D materials results in a stable reduced state that can reversibly be oxidized and has high ionic conductivity due to the great mobility of the cations between the negatively charged functional groups on the surface. Depending on the oxidation state of these systems, a high concentration of hole states can also be realized allowing for good electronic conductivity. These properties can further allow for improved energy storage devices via transition metal free cathode active species, solid electrolytes, electroconductive additives, separators, coatings for metal anodes and heat conductors through a single material. One possible realization of the above principles is the 2D salt An(BN)2OBX3, where A is an alkali atom (Li, Na, etc; 0≤n≤2) or alkaline earth (Mg, etc; 0≤n≤1) and X is a halide (typically F or Cl). This material can be derived from the basal plane functionalization of hexagonal boron nitride, h-BN, with •OBX − 3 radical anions in the presence of the A cations. One potential source of •OBX − 3 radical anions is their recombined form, the [X3B-O-O-BX3] 2− anion, which can be found in the Lewis adduct of an AnO2 ionic peroxide with BX3: An[X3B-O-O-BX3]. The individual radical anions can be obtained by thermally splitting the O-O bond in the recombined anion. Transition metal free all-solid-state batteries with Li, Na and Mg anodes, thermal stability and high energy and power densities may be realizable using An(BN)2OBX3.

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“…Currently, researchers are actively working to achieve the goal of high-capacity batteries. [17][18][19][20][21][22][23][24][25][26] The capacity of LIBs greatly depends on the redox potential of the cathode material as well as the number of Li ions that can be exchanged. Traditional lithium transition metal oxide cathodes such as LiCoO 2 and LiFePO 4 can achieve a capacity lower than 200 mA h g −119 due to the limited number of Li ions available for the redox process, which is insufficient to meet the current specic capacity requirements.…”

Section: Introductionmentioning

confidence: 99%