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Items: 1 to 20 of 114

1.

The strain effect on colossal oxygen ionic conductivity in nanoscale zirconia electrolytes: a first-principles-based study.

Li F, Lu R, Wu H, Kan E, Xiao C, Deng K, Ellis DE.

Phys Chem Chem Phys. 2013 Feb 28;15(8):2692-7. doi: 10.1039/c2cp43350h. Epub 2013 Jan 22.

PMID:
23340714
2.

DFT-based ab initio MD simulation of the ionic conduction in doped ZrO₂ systems under epitaxial strain.

Oka M, Kamisaka H, Fukumura T, Hasegawa T.

Phys Chem Chem Phys. 2015 Nov 21;17(43):29057-63. doi: 10.1039/c5cp03238e.

PMID:
26456398
3.

Origin of colossal ionic conductivity in oxide multilayers: interface induced sublattice disorder.

Pennycook TJ, Beck MJ, Varga K, Varela M, Pennycook SJ, Pantelides ST.

Phys Rev Lett. 2010 Mar 19;104(11):115901. Epub 2010 Mar 16.

PMID:
20366486
4.

Interstitialcy diffusion of oxygen in tetragonal La2CoO(4+δ).

Kushima A, Parfitt D, Chroneos A, Yildiz B, Kilner JA, Grimes RW.

Phys Chem Chem Phys. 2011 Feb 14;13(6):2242-9. doi: 10.1039/c0cp01603a. Epub 2010 Dec 6.

PMID:
21132203
5.

Multilayered YSZ/GZO films with greatly enhanced ionic conduction for low temperature solid oxide fuel cells.

Li B, Zhang J, Kaspar T, Shutthanandan V, Ewing RC, Lian J.

Phys Chem Chem Phys. 2013 Jan 28;15(4):1296-301. doi: 10.1039/c2cp42964k.

PMID:
23232452
6.

Interface proximity effects on ionic conductivity in nanoscale oxide-ion conducting yttria stabilized zirconia: an atomistic simulation study.

Sankaranarayanan SK, Ramanathan S.

J Chem Phys. 2011 Feb 14;134(6):064703. doi: 10.1063/1.3549891.

PMID:
21322717
7.

Lithium diffusion pathways and vacancy formation in the Pmmn-Li(1-x)FeO2 electrode material.

Catti M, Montero-Campillo M.

Phys Chem Chem Phys. 2011 Jun 21;13(23):11156-64. doi: 10.1039/c1cp20551j. Epub 2011 May 13.

PMID:
21573290
8.

Molecular dynamics simulation of yttria-stabilized zirconia (YSZ) crystalline and amorphous solids.

Lau KC, Dunlap BI.

J Phys Condens Matter. 2011 Jan 26;23(3):035401. doi: 10.1088/0953-8984/23/3/035401. Epub 2011 Jan 5.

PMID:
21406863
9.

Colossal ionic conductivity at interfaces of epitaxial ZrO2:Y2O3/SrTiO3 heterostructures.

Garcia-Barriocanal J, Rivera-Calzada A, Varela M, Sefrioui Z, Iborra E, Leon C, Pennycook SJ, Santamaria J.

Science. 2008 Aug 1;321(5889):676-80. doi: 10.1126/science.1156393.

10.

Oxygen-ion transport in a dual-phase scandia-yttria-stabilized zirconia solid electrolyte: a molecular dynamics simulation.

Chang KS, Tung KL.

Chemphyschem. 2009 Aug 3;10(11):1887-94. doi: 10.1002/cphc.200900100.

PMID:
19562791
11.

A density functional study of defect migration in gadolinium doped ceria.

Dholabhai PP, Adams JB, Crozier P, Sharma R.

Phys Chem Chem Phys. 2010 Jul 28;12(28):7904-10. doi: 10.1039/b924534k. Epub 2010 May 26.

PMID:
20502831
12.

Lanthanide transport in stabilized zirconias: interrelation between ionic radius and diffusion coefficient.

Kilo M, Taylor MA, Argirusis C, Borchardt G, Weber S, Scherrer H, Jackson RA.

J Chem Phys. 2004 Sep 15;121(11):5482-7.

PMID:
15352843
13.

First-principles molecular dynamics simulation and conductivity measurements of a molten xLi2O-(1- x)B2O3 system.

Ohkubo T, Tsuchida E, Gobet M, Sarou-Kanian V, Bessada C, Iwadate Y.

J Phys Chem B. 2013 May 9;117(18):5668-74. doi: 10.1021/jp312486m. Epub 2013 Apr 30.

PMID:
23590459
14.

On the influence of strain on ion transport: microstructure and ionic conductivity of nanoscale YSZ|Sc2O3 multilayers.

Schichtel N, Korte C, Hesse D, Zakharov N, Butz B, Gerthsen D, Janek J.

Phys Chem Chem Phys. 2010 Nov 21;12(43):14596-608. doi: 10.1039/c0cp01018a. Epub 2010 Oct 12.

PMID:
20938560
15.

Electrical and ionic conductivity effects on magic-angle spinning nuclear magnetic resonance parameters of CuI.

Yesinowski JP, Ladouceur HD, Purdy AP, Miller JB.

J Chem Phys. 2010 Dec 21;133(23):234509. doi: 10.1063/1.3526484.

PMID:
21186877
16.

Stability and migration of large oxygen clusters in UO(2+x): density functional theory calculations.

Andersson DA, Espinosa-Faller FJ, Uberuaga BP, Conradson SD.

J Chem Phys. 2012 Jun 21;136(23):234702. doi: 10.1063/1.4729842.

PMID:
22779610
17.

Ionic conductivity and activation energy for oxygen ion transport in superlattices--the semicoherent multilayer system YSZ (ZrO2 + 9.5 mol% Y2O3)/Y2O3.

Korte C, Peters A, Janek J, Hesse D, Zakharov N.

Phys Chem Chem Phys. 2008 Aug 21;10(31):4623-35. doi: 10.1039/b801675e. Epub 2008 Jun 20.

PMID:
18665312
18.

A first-principles study on defect association and oxygen ion migration of Sm3+ and Gd3+ co-doped ceria.

Alaydrus M, Sakaue M, Aspera SM, Wungu TD, Linh TP, Kasai H, Ishihara T, Mohri T.

J Phys Condens Matter. 2013 Jun 5;25(22):225401. doi: 10.1088/0953-8984/25/22/225401. Epub 2013 May 9.

PMID:
23656741
19.

Oxygen tracer diffusion along interfaces of strained Y2O3/YSZ multilayers.

Aydin H, Korte C, Rohnke M, Janek J.

Phys Chem Chem Phys. 2013 Feb 14;15(6):1944-55. doi: 10.1039/c2cp43231e. Epub 2012 Dec 20.

PMID:
23258566
20.

ReaxFF reactive force field for the Y-doped BaZrO3 proton conductor with applications to diffusion rates for multigranular systems.

van Duin AC, Merinov BV, Han SS, Dorso CO, Goddard WA 3rd.

J Phys Chem A. 2008 Nov 13;112(45):11414-22. doi: 10.1021/jp801082q. Epub 2008 Oct 17.

PMID:
18925731

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