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Probing the pseudo-1-D ion diffusion in lithium titanium niobate anode for Li-ion battery
Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India..
Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India..
Royal Inst Technol KTH, Dept Mat & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
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2016 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 18, no 32, 22323-22330 p.Article in journal (Refereed) Published
Abstract [en]

Comprehensive understanding of the charge transport mechanism in the intrinsic structure of an electrode material is essential in accounting for its electrochemical performance. We present here systematic experimental and theoretical investigations of Li+-ion diffusion in a novel layered material, viz. lithium titanium niobate. Lithium titanium niobate (exact composition Li0.55K0.45TiNbO5 center dot 1.06H(2)O) is obtained from sol-gel synthesized potassium titanium niobate (KTiNbO5) by an ion-exchange method. The Li+-ions are inserted and de-inserted preferentially into the galleries between the octahedral layers formed by edge and corner sharing TiO6 and NbO6 octahedral units and the effective chemical diffusion coefficient, is estimated to be 3.8 x 10(-11) cm(2) s(-1) using the galvanostatic intermittent titration technique (GITT). Calculations based on density functional theory (DFT) strongly confirm the anisotropic Li+-ion diffusion in the interlayer galleries and that Li+-ions predominantly diffuse along the crystallographic b-direction. The preferential Li+-ion diffusion along the b-direction is assisted by line-defects, which are observed to be higher in concentration along the b-direction compared to the a-and c-directions, as revealed by high resolution electron microscopy. The Li-Ti niobate can be cycled to low voltages (approximate to 0.2 V) and show stable and satisfactory battery performance over 100 cycles. Due to the possibility of cycling to low voltages, cyclic voltammetry and X-ray photoelectron spectroscopy convincingly reveal the reversibility of Ti3+ <-> Ti2+ along with Ti4+ <-> Ti3+ and Nb5+ <-> Nb4+.

Place, publisher, year, edition, pages
2016. Vol. 18, no 32, 22323-22330 p.
National Category
Condensed Matter Physics Condensed Matter Physics
URN: urn:nbn:se:uu:diva-307878DOI: 10.1039/c6cp04488cISI: 000381436500035PubMedID: 27459636OAI: oai:DiVA.org:uu-307878DiVA: diva2:1048840
Carl Tryggers foundation Swedish Research CouncilStandUp
Available from: 2016-11-22 Created: 2016-11-22 Last updated: 2016-11-22Bibliographically approved

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Chakraborty, SudipAhuja, Rajeev
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