Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure

Hui Xiong; Handan Yildirim; Paul Podsiadlo; Jun Zhang; Vitali B. Prakapenka; Jeffrey P. Greeley; Elena V. Shevchenko; Kirill K. Zhuravlev; Sergey Tkachev; Subramanian K.R.S. Sankaranarayanan; Tijana Rajh

doi:10.1103/PhysRevLett.110.078304

Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure

Hui Xiong, Handan Yildirim, Paul Podsiadlo, Jun Zhang, Vitali B. Prakapenka, Jeffrey P. Greeley, Elena V. Shevchenko, Kirill K. Zhuravlev, Sergey Tkachev, Subramanian K.R.S. Sankaranarayanan, Tijana Rajh

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Abstract

Experimental and theoretical studies on the compositional dependence of stability and compressibility in lithiated cubic titania are presented. The crystalline-to-amorphous phase transition pressure increases monotonically with Li concentration (from ∼17.5 GPa for delithiated to no phase transition for fully lithiated cubic titania up to 60 GPa). The associated enhancement in structural stability is postulated to arise from a vacancy filling mechanism in which an applied pressure drives interstitial Li ions to vacancy sites in the oxide interior. The results are of significance for understanding mechanisms of structural response of metal oxide electrode materials at high pressures as well as emerging energy storage technologies utilizing such materials.

Original language	American English
Article number	078304
Journal	Physical Review Letters
Volume	110
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevLett.110.078304
State	Published - 13 Feb 2013

EGS Disciplines

Materials Science and Engineering

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10.1103/PhysRevLett.110.078304

Compositional Tuning of Structural Stability of Lithiated Cubic TAccepted author manuscript, 1.12 MBLicense: Other

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Xiong, H., Yildirim, H., Podsiadlo, P., Zhang, J., Prakapenka, V. B., Greeley, J. P., Shevchenko, E. V., Zhuravlev, K. K., Tkachev, S., Sankaranarayanan, S. K. R. S., & Rajh, T. (2013). Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure. Physical Review Letters, 110(7), Article 078304. https://doi.org/10.1103/PhysRevLett.110.078304

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title = "Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure",

abstract = " Experimental and theoretical studies on the compositional dependence of stability and compressibility in lithiated cubic titania are presented. The crystalline-to-amorphous phase transition pressure increases monotonically with Li concentration (from ∼17.5 GPa for delithiated to no phase transition for fully lithiated cubic titania up to 60 GPa). The associated enhancement in structural stability is postulated to arise from a vacancy filling mechanism in which an applied pressure drives interstitial Li ions to vacancy sites in the oxide interior. The results are of significance for understanding mechanisms of structural response of metal oxide electrode materials at high pressures as well as emerging energy storage technologies utilizing such materials.",

author = "Hui Xiong and Handan Yildirim and Paul Podsiadlo and Jun Zhang and Prakapenka, {Vitali B.} and Greeley, {Jeffrey P.} and Shevchenko, {Elena V.} and Zhuravlev, {Kirill K.} and Sergey Tkachev and Sankaranarayanan, {Subramanian K.R.S.} and Tijana Rajh",

year = "2013",

month = feb,

day = "13",

doi = "10.1103/PhysRevLett.110.078304",

language = "American English",

volume = "110",

number = "7",

}

Xiong, H, Yildirim, H, Podsiadlo, P, Zhang, J, Prakapenka, VB, Greeley, JP, Shevchenko, EV, Zhuravlev, KK, Tkachev, S, Sankaranarayanan, SKRS & Rajh, T 2013, 'Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure', Physical Review Letters, vol. 110, no. 7, 078304. https://doi.org/10.1103/PhysRevLett.110.078304

TY - JOUR

T1 - Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure

AU - Xiong, Hui

AU - Yildirim, Handan

AU - Podsiadlo, Paul

AU - Zhang, Jun

AU - Prakapenka, Vitali B.

AU - Greeley, Jeffrey P.

AU - Shevchenko, Elena V.

AU - Zhuravlev, Kirill K.

AU - Tkachev, Sergey

AU - Sankaranarayanan, Subramanian K.R.S.

AU - Rajh, Tijana

PY - 2013/2/13

Y1 - 2013/2/13

N2 - Experimental and theoretical studies on the compositional dependence of stability and compressibility in lithiated cubic titania are presented. The crystalline-to-amorphous phase transition pressure increases monotonically with Li concentration (from ∼17.5 GPa for delithiated to no phase transition for fully lithiated cubic titania up to 60 GPa). The associated enhancement in structural stability is postulated to arise from a vacancy filling mechanism in which an applied pressure drives interstitial Li ions to vacancy sites in the oxide interior. The results are of significance for understanding mechanisms of structural response of metal oxide electrode materials at high pressures as well as emerging energy storage technologies utilizing such materials.

AB - Experimental and theoretical studies on the compositional dependence of stability and compressibility in lithiated cubic titania are presented. The crystalline-to-amorphous phase transition pressure increases monotonically with Li concentration (from ∼17.5 GPa for delithiated to no phase transition for fully lithiated cubic titania up to 60 GPa). The associated enhancement in structural stability is postulated to arise from a vacancy filling mechanism in which an applied pressure drives interstitial Li ions to vacancy sites in the oxide interior. The results are of significance for understanding mechanisms of structural response of metal oxide electrode materials at high pressures as well as emerging energy storage technologies utilizing such materials.

UR - http://www.scopus.com/inward/record.url?scp=84874032749&partnerID=8YFLogxK

UR - https://scholarworks.boisestate.edu/mse_facpubs/153

U2 - 10.1103/PhysRevLett.110.078304

DO - 10.1103/PhysRevLett.110.078304

M3 - Article

SN - 0031-9007

VL - 110

JO - Physical Review Letters

JF - Physical Review Letters

IS - 7

M1 - 078304

ER -

Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure

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