Electrospun WNb<sub>12</sub>O<sub>33</sub> nanowires: superior lithium storage capability and their working mechanism

Yan, Lei; Liao, Hua; Yu, Haoxiang; Qian, Shangshu; Cheng, Xing; Long, Nengbing; Zhang, Ruifeng; Shui, Miao; Shu, Jie

doi:10.1039/c7ta01784g

Cited by 74 publications

(76 citation statements)

References 63 publications

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“…4,5,13,16,[19][20][21][22] The three-stage anisotropic host-lattice response has been observed in Nb 16 W 5 O 55 by Griffith et al 4 using operando synchrotron XRD, and correlates with the regions of the electrochemical profile. Lattice parameters of Li x Nb 12 WO 33 phases have been reported by Cava et al 13 and Yan et al 20 Both authors observed an anisotropic lattice change after full lithiation (Li 10.7 Nb 12 WO 33 and Li 13 Nb 12 WO 33 , respectively), with an a-c plane contraction and expansion along b. However, the lattice changes between the two studies are not consistent, with Cava Regarding the local structure evolution, only results on Nb 16 W 5 O 55 are available, which clearly show that the MO 6 octahedra become progressively more symmetric as lithium is inserted.…”

Section: Discussion Common Mechanistic Principlesmentioning

confidence: 91%

Cation Disorder and Lithium Insertion Mechanism of Wadsley–Roth Crystallographic Shear Phases from First Principles

et al. 2019

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Wadsley-Roth crystallographic shear phases form a family of compounds that have attracted attention due to their excellent performance as lithium-ion battery electrodes. The complex crystallographic structure of these materials poses a challenge for first-principles computational modelling and hinders the understanding of their structural, electronic and dynamic properties. In this article, we study three different niobium-tungsten oxide crystallographic shear phases (Nb 12 WO 33 , Nb 14 W 3 O 44 , Nb 16 W 5 O 55 ) using an enumeration-based approach and first-principles density-functional theory calculations. We report common principles governing the cation disorder, lithium insertion mechanism, and electronic structure of these materials. Tungsten preferentially occupies tetrahedral and block-central sites within the block-type crystal structures, and the local structure of the materials depends on the cation configuration. The lithium insertion proceeds via a three-step mechanism, associated with an anisotropic evolution of the host lattice. Our calculations reveal an important connection between long-range and local structural changes;in the second step of the mechanism, the removal of local structural distortions leads to the contraction of the lattice along specific crystallographic directions, buffering the volume expansion of the material. Niobium-tungsten oxide shear structures host small amounts of localised electrons during initial lithium insertion due to the confining effect of the blocks, but quickly become metallic upon further lithiation. We argue that the combination of local, long-range, and electronic structural evolution over the course of lithiation is beneficial to to the performance of these materials as battery electrodes. The mechanistic principles we establish arise from the compound-independent crystallographic shear structure, and are therefore likely to apply to niobium-titanium oxide or pure niobium oxide crystallographic shear phases.

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Section: Discussion Common Mechanistic Principlesmentioning

confidence: 91%

Cation Disorder and Lithium Insertion Mechanism of Wadsley–Roth Crystallographic Shear Phases from First Principles

et al. 2019

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“…The C/2 discharge curves of the three versions of Nb18W8O69 were nominally identical ( Figure 3a), but the irreversible capacity and cycling performance differed ( Figure 3). Nb18W8O69 exhibits similar rate performance to its neighboring cs structure Nb16W5O55 up to 20C with similar Nb14W3O44, 19 and Nb12WO33, 14,15 . Cells were cycled between 3.0 V and a lower voltage cutoff (Vmin) of either 1.2 or 1.0 V, with capacity retention being worse for the wider potential window as expected ( Figure 3c).…”

Section: A B B Amentioning

confidence: 87%

Superionic Lithium Intercalation through 2 × 2 nm² Columns in the Crystallographic Shear Phase Nb₁₈W₈O₆₉

Griffith

Grey

2020

Chem. Mater.

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Nb18W8O69 (9Nb2O5×8WO3) is the tungsten-rich end-member of the Wadsley-Roth crystallographic shear (cs) structures within the Nb2O5-WO3 series. It has the largest block size of any known, stable Wadsley-Roth phase, comprising 5 ´ 5 units of corner-shared MO6 octahedra between the shear planes, giving rise to 2 nm ´ 2 nm blocks. Rapid lithium intercalation is observed in this new candidate battery material and 7 Li pulsed field gradient nuclear magnetic resonance spectroscopy-measured in a battery electrode for the first time at room temperature-reveals superionic lithium conductivity with Li diffusivities at 298 K predominantly between 10-10 and 10-12 m 2 •s-1. In addition to its promising rate capability, Nb18W8O69 adds a piece to the larger picture of our understanding of high-performance Wadsley-Roth complex metal oxides.

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“…However, the cycling current density was limited to only 0.8 A g −1 . AlNb 11 O 29 , [ 42a ] TiNb 24 O 62 , [ 50 ] Nb 12 WO 33 , [ 48 ] Ti 2 Nb 10 O 29 , [ 58 ] and TiNb 2 O 7 nanowires [ 59 ] have also been synthesized by the electrospinning method, and their improved electrochemical performance compared with that of bulk materials has clearly demonstrated the influence of the nanowire architecture on the Li + diffusion rate.…”

Section: Strategies To Enhance the Electrochemical Performancementioning

confidence: 99%

Wadsley–Roth Crystallographic Shear Structure Niobium‐Based Oxides: Promising Anode Materials for High‐Safety Lithium‐Ion Batteries

Yang

Zhao

2021

Advanced Science

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Wadsley–Roth crystallographic shear structure niobium‐based oxides are of great interest in fast Li+ storage due to their unique 3D open tunnel structures that offer facile Li+ diffusion paths. Their moderate lithiation potential and reversible redox couples hold the great promise in the development of next‐generation lithium‐ion batteries (LIBs) that are characterized by high power density, long lifespan, and high safety. Despite these outstanding merits, there is still extensive advancement space for further enhancing their electrochemical kinetics. And the industrial feasibility of Wadsley–Roth crystallographic shear structure niobium‐based oxides as anode materials for LIBs requires more systematic research. In this review, recent progress in this field is summarized with the aim of realizing the practical applications of Wadsley–Roth phase anode materials in commercial LIBs. The review focuses on research toward the crystalline structure analyses, electrochemical reaction mechanisms, modification strategies, and full cell performance. In addition to highlighting the current research advances, the outlook and perspective on Wadsley–Roth anode materials is also concisely provided.

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Electrospun WNb₁₂O₃₃ nanowires: superior lithium storage capability and their working mechanism

Abstract: Electrospun WNb12O33 nanowires show high-power capability and long-term cycling performance as an anode material for rechargeable lithium-ion batteries.

Cited by 74 publications

References 63 publications

Cation Disorder and Lithium Insertion Mechanism of Wadsley–Roth Crystallographic Shear Phases from First Principles

Cation Disorder and Lithium Insertion Mechanism of Wadsley–Roth Crystallographic Shear Phases from First Principles

Superionic Lithium Intercalation through 2 × 2 nm² Columns in the Crystallographic Shear Phase Nb₁₈W₈O₆₉

Wadsley–Roth Crystallographic Shear Structure Niobium‐Based Oxides: Promising Anode Materials for High‐Safety Lithium‐Ion Batteries

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Electrospun WNb12O33 nanowires: superior lithium storage capability and their working mechanism

Abstract: Electrospun WNb12O33 nanowires show high-power capability and long-term cycling performance as an anode material for rechargeable lithium-ion batteries.

Cited by 74 publications

References 63 publications

Cation Disorder and Lithium Insertion Mechanism of Wadsley–Roth Crystallographic Shear Phases from First Principles

Cation Disorder and Lithium Insertion Mechanism of Wadsley–Roth Crystallographic Shear Phases from First Principles

Superionic Lithium Intercalation through 2 × 2 nm2 Columns in the Crystallographic Shear Phase Nb18W8O69

Wadsley–Roth Crystallographic Shear Structure Niobium‐Based Oxides: Promising Anode Materials for High‐Safety Lithium‐Ion Batteries

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Electrospun WNb₁₂O₃₃ nanowires: superior lithium storage capability and their working mechanism

Superionic Lithium Intercalation through 2 × 2 nm² Columns in the Crystallographic Shear Phase Nb₁₈W₈O₆₉