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Surface dependent segregation of Y2O3 in t-ZrO2

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Surface dependent segregation of Y2O3 in t-ZrO2. / Stanek, CR; Grimes, RW; Rushton, MJD et al.
In: Philosophical Magazine Letters, Vol. 85, No. 9, 01.09.2005, p. 445-453.

Research output: Contribution to journal › Article › peer-review

HarvardHarvard

Stanek, CR, Grimes, RW, Rushton, MJD, McClellan, KJ & Rawlings, RD 2005, 'Surface dependent segregation of Y2O3 in t-ZrO2', Philosophical Magazine Letters, vol. 85, no. 9, pp. 445-453. https://doi.org/10.1080/09500830500318833

APA

Stanek, CR., Grimes, RW., Rushton, MJD., McClellan, KJ., & Rawlings, RD. (2005). Surface dependent segregation of Y2O3 in t-ZrO2. Philosophical Magazine Letters, 85(9), 445-453. https://doi.org/10.1080/09500830500318833

CBE

Stanek CR, Grimes RW, Rushton MJD, McClellan KJ, Rawlings RD. 2005. Surface dependent segregation of Y2O3 in t-ZrO2. Philosophical Magazine Letters. 85(9):445-453. https://doi.org/10.1080/09500830500318833

MLA

Stanek, CR et al. "Surface dependent segregation of Y2O3 in t-ZrO2". Philosophical Magazine Letters. 2005, 85(9). 445-453. https://doi.org/10.1080/09500830500318833

VancouverVancouver

Stanek CR, Grimes RW, Rushton MJD, McClellan KJ, Rawlings RD. Surface dependent segregation of Y2O3 in t-ZrO2. Philosophical Magazine Letters. 2005 Sept 1;85(9):445-453. doi: 10.1080/09500830500318833

Author

Stanek, CR ; Grimes, RW ; Rushton, MJD et al. / Surface dependent segregation of Y2O3 in t-ZrO2. In: Philosophical Magazine Letters. 2005 ; Vol. 85, No. 9. pp. 445-453.

RIS

TY - JOUR

T1 - Surface dependent segregation of Y2O3 in t-ZrO2

AU - Stanek, CR

AU - Grimes, RW

AU - Rushton, MJD

AU - McClellan, KJ

AU - Rawlings, RD

PY - 2005/9/1

Y1 - 2005/9/1

N2 - Atomistic simulation techniques have been used to predict the preferential segregation of Y3+ ions to the (100), (101) and (110) surfaces of tetragonal zirconia (t-ZrO2). It is found that segregation energetics vary greatly between surfaces. In particular, dopant ions segregate to the top of the (101) surface. Conversely, although they also segregate towards the (100) and (110) surfaces, Y3+ becomes trapped just beneath these surfaces. For all of these surfaces, segregation effects are negligible below 12 angstrom. The surface orientation dependence will result in significant variations in the concentration of yttrium at different surfaces. As a consequence, properties that are a function of defect concentration and distribution will be surface dependent. Predictive understanding of such segregation effects will provide the possibility of better engineered devices for a variety of thermal and electrochemical applications.

AB - Atomistic simulation techniques have been used to predict the preferential segregation of Y3+ ions to the (100), (101) and (110) surfaces of tetragonal zirconia (t-ZrO2). It is found that segregation energetics vary greatly between surfaces. In particular, dopant ions segregate to the top of the (101) surface. Conversely, although they also segregate towards the (100) and (110) surfaces, Y3+ becomes trapped just beneath these surfaces. For all of these surfaces, segregation effects are negligible below 12 angstrom. The surface orientation dependence will result in significant variations in the concentration of yttrium at different surfaces. As a consequence, properties that are a function of defect concentration and distribution will be surface dependent. Predictive understanding of such segregation effects will provide the possibility of better engineered devices for a variety of thermal and electrochemical applications.

U2 - 10.1080/09500830500318833

DO - 10.1080/09500830500318833

M3 - Erthygl

VL - 85

SP - 445

EP - 453

JO - Philosophical Magazine Letters

JF - Philosophical Magazine Letters

SN - 0950-0839

IS - 9

ER -