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

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

doi:10.1103/PhysRevLett.110.078304

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

Full Record
Other Related Research

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

Publication Date:: 2013-02-13

Sponsoring Org.:: USDOE

OSTI Identifier:: 1102272

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 110; Journal Issue: 7; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Xiong, Hui, Yildirim, Handan, Podsiadlo, Paul, Zhang, Jun, Prakapenka, Vitali B., Greeley, Jeffrey P., Shevchenko, Elena V., Zhuravlev, Kirill K., Tkachev, Sergey, Sankaranarayanan, Subramanian K. R. S., and Rajh, Tijana. Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure.  United States: N. p., 2013. 
Web.  doi:10.1103/PhysRevLett.110.078304.

Copy to clipboard


                    Xiong, Hui, Yildirim, Handan, Podsiadlo, Paul, Zhang, Jun, Prakapenka, Vitali B., Greeley, Jeffrey P., Shevchenko, Elena V., Zhuravlev, Kirill K., Tkachev, Sergey, Sankaranarayanan, Subramanian K. R. S., & Rajh, Tijana. Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure.  United States.  https://doi.org/10.1103/PhysRevLett.110.078304

Copy to clipboard


                    Xiong, Hui, Yildirim, Handan, Podsiadlo, Paul, Zhang, Jun, Prakapenka, Vitali B., Greeley, Jeffrey P., Shevchenko, Elena V., Zhuravlev, Kirill K., Tkachev, Sergey, Sankaranarayanan, Subramanian K. R. S., and Rajh, Tijana. Wed .  
"Compositional Tuning of Structural Stability of Lithiated Cubic Titania via a Vacancy-Filling Mechanism under High Pressure".  United States.  https://doi.org/10.1103/PhysRevLett.110.078304.

Copy to clipboard


                    
@article{osti_1102272,

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

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

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.110.078304},

  journal      = {Physical Review Letters},

  number       = 7,

  volume       = 110,

  place        = {United States},

  year         = {2013},

  month        = {2}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevLett.110.078304

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 13 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Tuning the electronic structure of SrTiO₃/SrFeO_3-x superlattices via composition and vacancy control

Journal Article Berger, Robert F. ; Broberg, Daniel P. ; Neaton, Jeffrey B. - APL Materials

Using density functional theory-based calculations, we explore the effects of oxygen vacancies and epitaxial layering on the atomic, magnetic, and electronic structure of (SrTiO₃)_n(SrFeO_3-x)₁ superlattices. While structures without oxygen vacancies (more »« less
Cited by 7
https://doi.org/10.1063/1.4869955

Full Text Available
Tuning the electronic structure of SrTiO{sub 3}/SrFeO{sub 3−x} superlattices via composition and vacancy control

Journal Article Berger, Robert F. ; Department of Chemistry, Western Washington University, Bellingham, Washington 98225 ; Broberg, Daniel P. ; ... - APL Materials

Using density functional theory-based calculations, we explore the effects of oxygen vacancies and epitaxial layering on the atomic, magnetic, and electronic structure of (SrTiO{sub 3}){sub n}(SrFeO{sub 3−x}){sub 1} superlattices. While structures without oxygen vacancies (x = 0) possess small or non-existent band gaps and ferromagnetic ordering in their iron layers, those with large vacancy concentrations (x = 0.5) have much larger gaps and antiferromagnetic ordering. Though the computed gaps depend numerically on the delicate energetic balance of vacancy ordering and on the value of Hubbard U{sub eff} used in the calculations, we demonstrate that changes in layering can tune themore »« less
https://doi.org/10.1063/1.4869955
Tuning the electronic structure of SrTiO₃/SrFeO_3-x superlattices via composition and vacancy control

Journal Article Berger, Robert F. ; Broberg, Daniel P. ; Neaton, Jeffrey B. - APL Materials
https://doi.org/10.1063/1.4869955
Structural stability of mechanically alloyed amorphous (FeCoNi)₇₀Ti₁₀B₂₀ under high-temperature and high-pressure

Journal Article Avar, Baris ; Simsek, Tuncay ; Ozcan, Sadan ; ... - Journal of Alloys and Compounds

Nanostructured (FeCoNi)₇₀Ti₁₀B₂₀ (at%) alloy was synthesized by mechanical alloying from elemental powder mixture of Fe, Co, Ni, Ti and B using ball milling. The effect of ball milling time on the evolution of structure and morphology was investigated by X-ray diffraction, scanning and transmission electron microscopy and differential thermal analysis. It was observed that the formation of solid solution of (FeCoNi)₇₀Ti₁₀B₂₀ started from the very onset of the milling process. Crystallite size and lattice strains seemed to be leveled off after 20 h of milling with no further major changes. The milling process for longer periods introduced severe plastic deformationsmore »« less
https://doi.org/10.1016/j.jallcom.2020.158528

Full Text Available
Structural Evolution of CO₂-Filled Pure Silica LTA Zeolite under High-Pressure High-Temperature Conditions

Journal Article Santamaría-Pérez, David ; Marqueño, Tomas ; MacLeod, Simon ; ... - Chemistry of Materials

The crystal structure of CO₂-filled pure-SiO₂ LTA zeolite has been studied at high pressures and temperatures using synchrotron-based X-ray powder diffraction. Its structure consists of 13 CO₂ guest molecules, 12 of them accommodated in the large α-cages and one in the β-cages, giving a SiO₂/CO₂ stoichiometric ratio smaller than 2. The structure remains stable under pressure up to 20 GPa with a slight pressure-dependent rhombohedral distortion, indicating that pressure-induced amorphization is prevented by the insertion of guest species in this open framework. The ambient-temperature lattice compressibility has been determined. In situ high-pressure resistive-heating experiments up to 750 K allow usmore »« less
Cited by 15
https://doi.org/10.1021/acs.chemmater.7b01158

Full Text Available

Similar Records