Lithium insertion properties of Li TiNb2O7 investigated by neutron diffraction and first-principles modelling

Catti, M.; Pinus, I. Yu.; Knight, Kevin S.

doi:10.1016/j.jssc.2015.05.011

Cited by 40 publications

(81 citation statements)

References 23 publications

(54 reference statements)

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“…However, the lattice parameter b and unit cell volume V exhibit a linearly increasing trend with the increase of the degree of lithiation, which is also in agreement with the XRD and powder neutron diffraction measurements of chemically lithiated Li x TiNb 2 O 7 samples. [ 37 ] This phenomenon may be attributed to the accumulation of Li + ions along the tunnels of the block, which is in accordance with the direction of the b ‐axis. The estimated unit‐cell volume change during the Li + intercalation/extraction is ≈7.22–8.4%.…”

Section: Electrochemical Reaction Mechanismsmentioning

confidence: 81%

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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Section: Electrochemical Reaction Mechanismsmentioning

confidence: 81%

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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“…The CV results indicate that the average lithium storage voltage is about 1.64 V. The theoretical calculation results demonstrate that the inserted lithium are stored in the (001) plane of TiNb 2 O 7 crystal, meanwhile, its layered structure can be maintained. Neutron diffraction and first‐principles calculations were used by Catti et al to investigate the lithium insertion properties of Li x TiNb 2 O 7 . The results indicate that the chemical reduction of transition metal atoms concentrates on the more condensed octahedra of the 3 × 3 block during the lithiation process.…”

Section: Ti–nb–o Family Electrodesmentioning

confidence: 99%

“…Among the TiNb x O 2+2.5x family, TiNb 2 O 7 has been extensively studied as the anode part of secondary batteries. In 2011, Goodenough et al [133] and Gu et al [134] have demonstrated the excellent lithium storage character for [138] The results indicate that the chemical reduction of transition metal atoms concentrates on the more condensed octahedra of the 3 × 3 block during the lithiation process.…”

Section: Lithium Storage Mechanismmentioning

confidence: 99%

Niobium‐Based Oxides Toward Advanced Electrochemical Energy Storage: Recent Advances and Challenges

Deng

Zhu

et al. 2019

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108

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Niobium‐based oxides including Nb2O5, TiNbxO2+2.5x compounds, M–Nb–O (M = Cr, Ga, Fe, Zr, Mg, etc.) family, etc., as the unique structural merit (e.g., quasi‐2D network for Li‐ion incorporation, open and stable Wadsley– Roth shear crystal structure), are of great interest for applications in energy storage systems such as Li/Na‐ion batteries and hybrid supercapacitors. Most of these Nb‐based oxides show high operating voltage (>1.0 V vs Li+/Li) that can suppress the formation of solid electrolyte interface film and lithium dendrites, ensuring the safety of working batteries. Outstanding rate capability is impressive, which can be derived from their fast intercalation pseudocapacitive kinetics. However, the intrinsic poor electrical conductivity hinders their energy storage applications. Various strategies including structure optimization, surface engineering, and carbon modification are effectively used to overcome the issues. This review provides a comprehensive summary on the latest progress of Nb‐based oxides for advanced electrochemical energy storage applications. Major impactful work is outlined, promising research directions, and various performance‐optimizing strategies, as well as the energy storage mechanisms investigated by combining theoretical calculations and various electrochemical characterization techniques. In addition, challenges and perspectives for future research and commercial applications are also presented.

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“…This slight volume change is recognized to be the main reason for the excellent cycle life of TiNb 2 O 7 anode materials. Besides, due to the electrons moving into a partly spin‐polarized small band, the electric conductivity increases as the enlargement of x value in Li x TiNb 2 O 7 , leading to favorable thermodynamics of lithiation process …”

Section: Ti‐based Oxides As Anode Materials For Libsmentioning

confidence: 99%

Ti‐Based Oxide Anode Materials for Advanced Electrochemical Energy Storage: Lithium/Sodium Ion Batteries and Hybrid Pseudocapacitors

Lou

Zhao

Wang

et al. 2019

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130

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The ORCID identification number(s) for the author(s) of this article can be found under https://doi.org/10.1002/smll.201904740.Titanium-based oxides including TiO 2 and M-Ti-O compounds (M = Li, Nb, Na, etc.) family, exhibit advantageous structural dynamics (2D ion diffusion path, open and stable structure for ion accommodations) for practical applications in energy storage systems, such as lithium-ion batteries, sodium-ion batteries, and hybrid pseudocapacitors. Further, Ti-based oxides show high operating voltage relative to the deposition of alkali metal, ensuring full safety by avoiding the formation of lithium and sodium dendrites. On the other hand, high working potential prevents the decomposition of electrolyte, delivering excellent rate capability through the unique pseudocapacitive kinetics. Nevertheless, the intrinsic poor electrical conductivity and reaction dynamics limit further applications in energy storage devices. Recently, various work and in-depth understanding on the morphologies control, surface engineering, bulk-phase doping of Ti-based oxides, have been promoted to overcome these issues. Inspired by that, in this review, the authors summarize the fundamental issues, challenges and advances of Ti-based oxides in the applications of advanced electrochemical energy storage. Particularly, the authors focus on the progresses on the working mechanism and device applications from lithium-ion batteries to sodium-ion batteries, and then the hybrid pseudocapacitors. In addition, future perspectives for fundamental research and practical applications are discussed. www.advancedsciencenews.com

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Lithium insertion properties of Li TiNb2O7 investigated by neutron diffraction and first-principles modelling

Cited by 40 publications

References 23 publications

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

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

Niobium‐Based Oxides Toward Advanced Electrochemical Energy Storage: Recent Advances and Challenges

Ti‐Based Oxide Anode Materials for Advanced Electrochemical Energy Storage: Lithium/Sodium Ion Batteries and Hybrid Pseudocapacitors

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