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Improved oxygen surface exchange kinetics at grain boundaries in nanocrystalline yttria-stabilized zirconia

Published online by Cambridge University Press:  10 August 2012

Joong Sun Park*
Affiliation:
Department of Mechanical Engineering, Stanford University, Stanford, California 94305; Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720
Timothy P. Holme
Affiliation:
Department of Mechanical Engineering, Stanford University, Stanford, California 94305
Joon Hyung Shim
Affiliation:
Department of Mechanical Engineering, Stanford University, Stanford, California 94305; Department of Mechanical Engineering, Korea University, Seoul, Korea
Fritz B. Prinz
Affiliation:
Department of Mechanical Engineering, Stanford University, Stanford, California 94305; Department of Material Science and Engineering, Stanford University, Stanford, California 94305
*
Address all correspondence to Joong Sun Park at joongspark@lbl.gov
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Abstract

Quantum simulations of oxygen incorporation at a Σ5 grain boundary in yttria-stabilized zirconia (YSZ), a common solid oxide fuel cells (SOFCs) electrolyte, show that the incorporation energy is reduced compared with YSZ with no grain boundaries. The simulation results are supported by electrochemical impedance spectroscopy (EIS) measurements conducted on a single crystalline YSZ substrate with nanogranular interlayered YSZ. EIS results showed that single crystalline YSZ membranes with nanogranular surface (i.e., high grain boundary densities) exhibit small electrode impedances than the reference single crystalline YSZ. The 20-nm-thick nanogranular YSZ interlayer was fabricated by atomic layer deposition and the performance for SOFCs with nanograined interlayer was increased by factor of 2 at operating temperatures between 350 and 450 °C.

Type
Research Letters
Copyright
Copyright © Materials Research Society 2012

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References

1.Knoner, G., Reimann, K., Rower, R., Sodervall, U., and Schaeffer, H.E.: Enhanced oxygen diffusivity in interfaces of nanocrystalline ZrO2.Y2O3. Proc. Natl. Acad. Sci. U.S.A. 100, 3860 (2003).Google Scholar
2.Kosacki, I., Rouleau, C.M., Becher, P.F., Bentley, J., and Lowndesb, D.H.: Surface/interface-related conductivity in nanometer thick YSZ films. Electrochem. Solid State Lett. 7, A459 (2004).CrossRefGoogle Scholar
3.Huang, H., Gür, T.M., Saito, Y., and Prinz, F.B.: High ionic conductivity in ultrathin nanocrystalline gadolinia-doped ceria films. Appl. Phys. Lett. 89, 143107 (2006).CrossRefGoogle Scholar
4.Shim, J.H., Chao, C.C., Huang, H., and Prinz, F.B.: Atomic layer deposition of yttria-stabilized zirconia for solid oxide fuel cells. Chem. Mater. 19, 3850 (2007).Google Scholar
5.Shim, J.H., Park, J.S., Holme, T.P., Crabb, K., Lee, W., Kim, Y.B., Tian, X., Gür, T.M., and Prinz, F.B.: Enhanced oxygen exchange and incorporation at surface grain boundaries on an oxide ion conductor. Acta Mater. 60, 1 (2012).Google Scholar
6.Kresse, G. and Furthmüller, J.: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 (1996).Google Scholar
7.Kresse, G. and Joubert, J.: From ultrasoft pseudopotentials to the projector augmented-wave method. J. Phys. Rev. B 59, 1758 (1999).Google Scholar
8.Perdew, J. and Zunger, A.: Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Phys. Rev. B 23, 5048 (1982).Google Scholar
9.Monkhorst, H.J. and Pack, J.D.: Special pointes for Brillouin-zone integrations. Phys. Rev. B 13, 5188 (1976).Google Scholar
10.Lee, W., Jung, H.J., Lee, M., Kim, Y., Park, J.S., Sinclair, R., and Prinz, F.B.: Oxygen surface exchange at grain boundaries of oxide ion conductors. Adv. Funct. Mater. 22, 965 (2012).Google Scholar
11.Conner, W.C. and Falconer, J.L.: Spillover in heterogeneous catalysis. Chem. Rev. 95, 759 (1995).Google Scholar
12.Huang, H., Nakamura, M., Su, P., Fasching, R., Saito, Y., and Prinz, F.B.: High-performance ultrathin solid oxide fuel cells for low-temperature operation. J. Electrochem. Soc. 154, B20 (2007).Google Scholar
13.Souza, S., Visco, S.J., and De Jonghe, L.C.: Thin-film solid oxide fuel cell with high performance at low-temperature. Solid State Ionics 98, 57 (1997).Google Scholar
14.Holme, T.P., Pornprasertsuk, R., and Prinz, F.: Interpretation of low temperature solid oxide fuel cell electrochemical impedance spectra. J. Electrochem. Soc. 157, B64 (2010).Google Scholar
15.Kim, Y., Holme, T., Gür, T.M., and Prinz, F.B.: Surface-modified low-temperature solid oxide fuel cell. Adv. Funct. Mater. 21, 4684 (2011).Google Scholar
16.Kim, Y., Park, J.S., Gür, T.M., and Prinz, F.B.: Oxygen activation over engineered surface grains on YDC/YSZ interlayered composite electrolyte for LT-SOFC. J. Power Sources 196, 19550 (2011).Google Scholar