Hostname: page-component-78c5997874-m6dg7 Total loading time: 0 Render date: 2024-11-16T17:10:59.215Z Has data issue: false hasContentIssue false
  • English
  • Français

Solid-State Materials for Clean Energy: Insights from Atomic-Scale Modeling

Published online by Cambridge University Press:  31 January 2011

M. Saiful Islam  and
Peter R. Slater
Get access

Abstract

Fundamental advances in solid-state ionics for energy conversion and storage are crucial in addressing the global challenge of cleaner energy sources. This review aims to demonstrate the valuable role that modern computational techniques now play in providing deeper fundamental insight into materials for solid oxide fuel cells and rechargeable lithium batteries. The scope of contemporary work is illustrated by studies on topical materials encompassing perovskite-type proton conductors, gallium oxides with tetrahedral moieties, apatite-type silicates, and lithium iron phosphates. Key fundamental properties are examined, including mechanisms of ion migration, dopant-defect association, and surface structures and crystal morphologies.

Type
Research Article
Information
MRS Bulletin , Volume 34 , Issue 12: Solid-State Ionics in the 21st Century , December 2009 , pp. 935 - 941
Copyright
Copyright © Materials Research Society 2009

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1Islam, M.S., J. Mater. Chem. 17, 3069 (2007).Google Scholar
2Brett, D.J.L., Atkinson, A., Brandon, N.P., Skinner, S.J., Chem. Soc. Rev. 37, 1568 (2008).CrossRefGoogle Scholar
3Atkinson, A., Barnett, S., Gorte, R.J., Irvine, J.T.S., McEvoy, A.J., Mogensen, M., Singhal, S.C., Vohs, J.., Nat. Mater. 3, 17 (2004).Google Scholar
4Tarascon, J.M., Armand, M., Nature 414, 359 (2001).Google Scholar
5Armand, M., Tarascon, J.M., Nature 451, 652 (2008).CrossRefGoogle Scholar
6Arico, A.S., Bruce, P.G., Scrosati, B., Tarascon, J.M., Van Schalkwijk, W., Nat. Mater. 4, 366 (2005).CrossRefGoogle Scholar
7Whittingham, M.S., Chem. Rev. 104, 4271 (2004).CrossRefGoogle Scholar
8Catlow, C.R.A., Ed., Computer Modelling in Inorganic Crystallography (Academic Press, San Diego, 1997).Google Scholar
9Koch, W., Holthausen, M.C., A Chemist's Guide to Density Functional Theory (Wiley-VCH, Weinheim, 2001).CrossRefGoogle Scholar
10Gale, J.D., J. Chem. Soc., Faraday Trans. 93, 629 (1997).Google Scholar
11Smith, W., Forester, T.R., J. Mol. Graphics 14, 136 (1994).CrossRefGoogle Scholar
12Kresse, G., Furthmüller, J., Phys. Rev. B 54, 11169 (1996).Google Scholar
13Payne, M.C., Teter, M.P., Allan, D.C., Arias, T.A., Joannopoulos, J.D., Rev. Mod. Phys. 64, 1045 (1992).Google Scholar
14Kreuer, K.D., Paddison, S.J., Spohr, E., Schuster, M., Chem. Rev. 104, 4637 (2004).Google Scholar
15Norby, T., Wideroe, M., Glockner, R., Larring, Y.., Dalton Trans. 19, 3012 (2004).Google Scholar
16Islam, M.S., Davies, R.A., Gale, J.D., Chem. Mater. 13, 2049 (2001).CrossRefGoogle Scholar
17Kilner, J.A., Solid State Ionics 129, 13 (2000).CrossRefGoogle Scholar
18Norby, T., J. Mater. Chem. 11, 11 (2000).CrossRefGoogle Scholar
19Phillips, R.J., Bonanos, N., Poulsen, F.W., Ahlgren, E.O., Solid State Ionics, 125, 389 (1999).CrossRefGoogle Scholar
20Fabbri, E., Licoccia, S., Traversa, E., Wachsman, E.D., Fuel Cells, 9, 128 (2009).Google Scholar
21Mather, G.C., Figueiredo, F.M., de Paz, J.R., Garcia-Martin, S., Inorg. Chem. 47, 921 (2008).CrossRefGoogle Scholar
22Hempelmann, R., Karmonik, C., Matzke, T., Cappadonia, M., Stimming, U., Springer, T., Adams, M.A., Solid State Ionics 77, 152 (1995).CrossRefGoogle Scholar
23Islam, M.S., Davies, R.A., J. Mater. Chem. 14, 86 (2004).CrossRefGoogle Scholar
24Jones, A., Islam, M.S., J. Phys. Chem. C 112, 4455 (2008).CrossRefGoogle Scholar
25Nakayama, S., Higuchi, Y., Kondo, Y., Sakamoto, M., Solid State Ionics 170, 219 (2004).Google Scholar
26Sansom, J.E.H., Richings, D., Slater, P.R., Solid State Ionics 139, 205 (2001).Google Scholar
27Najib, A., Sansom, J.E.H., Tolchard, J.R., Slater, P.R., Islam, M.S., Dalton Trans. 3106 (2004).CrossRefGoogle Scholar
28Kendrick, E., Islam, M.S., Slater, P.R., J. Mater. Chem. 17, 3104 (2007).CrossRefGoogle Scholar
29Leon-Reina, L., Porras-Vasquez, J.M., Losilla, E.R., Aranda, M.A.G., J. Solid State Chem. 180, 1250 (2007).Google Scholar
30León-Reina, L., Losilla, E.R., Martínez-Lara, M., Bruque, S., Aranda, M.A.G., J. Mater. Chem. 14, 1142 (2004).CrossRefGoogle Scholar
31Yoshioka, H., Nojiri, Y., Tanase, S., Solid State Ionics 179, 2165 (2008).Google Scholar
32Panteix, P.J., Bechade, E., Julien, I., Abelard, P., Bernache-Assollant, D., Mater. Res. Bull. 43, 1223 (2008).Google Scholar
33Tolchard, J.R., Islam, M.S., Slater, P.R., J. Mater. Chem. 13, 1956 (2003).CrossRefGoogle Scholar
34Sansom, J.E.H., Tolchard, J.R., Apperley, D., Islam, M.S., Slater, P.R., J. Mater. Chem. 16, 1410 (2006).CrossRefGoogle Scholar
35Jones, A., Islam, M.S., Slater, P.R., Chem. Mater. 20, 5055 (2008).CrossRefGoogle Scholar
36Kendrick, E., Islam, M.S., Slater, P.R., Chem. Commun. 715 (2008).CrossRefGoogle Scholar
37Haugsrud, R., Norby, T., Nat. Mater. 5, 193 (2006).Google Scholar
38Schönberger, F., Kendrick, E., Islam, M.S., Slater, P.R., Solid State Ionics 176, 2951 (2005).Google Scholar
39Kendrick, E., Kendrick, J., Knight, K.S., Islam, M.S., Slater, P.R., Nat. Mater. 6, 871 (2007).Google Scholar
40Padhi, A.K., Nanjundaswamy, K.S., Goodenough, J.B., J. Electrochem. Soc. 144, 1188 (1997).CrossRefGoogle Scholar
41Ravet, N., Chouinard, Y., Magnan, J.F., Besner, S., Gauthier, M., Armand, M., J. Power Sources 97–98, 503 (2001).CrossRefGoogle Scholar
42Chung, S.Y., Bloking, J.T., Chiang, Y.M., Nat. Mater. 1, 123 (2002).CrossRefGoogle Scholar
43Subramanya Herle, P., Ellis, B., Coombs, N., Nazar, L.F., Nat. Mater. 3, 147 (2004).Google Scholar
44Delacourt, C., Laffont, L., Bouchet, R., Wurm, C., Leriche, J.B., Morcrette, M., Tarason, J.M., Masquelier, C., J. Electrochem. Soc. 152, A913 (2005).Google Scholar
45Gabrisch, H., Wilcox, J.D., Doeff, M.M., Electrochem. Solid-State Lett. 9, A360 (2006).Google Scholar
46Amin, R., Balaya, P., Maier, J., Electrochem. Solid-State Lett. 10, A13 (2007).CrossRefGoogle Scholar
47Chen, J., Vacchio, M.J., Wang, S., Chernova, N., Zavalij, P. Y., Whittingham, M.S., Solid State Ionics 178, 1676 (2008).Google Scholar
48Muraliganth, T., Murugan, A.V., Manthiram, A., J. Mater. Chem. 18, 5661 (2008).Google Scholar
49Islam, M.S., Driscoll, D.J., Fisher, C.A.J., Slater, P.R., Chem. Mater. 17, 5085 (2005).CrossRefGoogle Scholar
50Fisher, C.A.J., Hart Prieto, V.M., Islam, M.S., Chem. Mater. 20, 5907 (2008).Google Scholar
51Chung, S.Y., Choi, S.Y., Yamamoto, T., Ikuhara, Y., Phys. Rev. Lett. 100, 125502 (2008).CrossRefGoogle Scholar
52Henderson, C.M.B., Knight, K.S., Redfern, S.A.T., Wood, B.J., Science 271, 1713 (1996).Google Scholar
53Morgan, D., Van der Ven, A., Ceder, G., Electrochem. Solid-State Lett. 7, A30 (2004).CrossRefGoogle Scholar
54Nishimura, S., Kobayashi, Y., Ohayama, K., Kanno, R., Yashima, M., Yamaguchi, Y., Yamada, A., Nat. Mater. 7, 707 (2008).CrossRefGoogle Scholar
55Ellis, B., Wang, H.K., Makahnouk, W.R.M., Nazar, L.F., J. Mater. Chem. 17, 3248 (2007).Google Scholar
56Fisher, C.A.J., Islam, M.S., J. Mater. Chem. 18, 1209 (2008).Google Scholar
57Franger, S., Le Cras, F., Bourbon, C., Benoit, C., Soudan, P., Santos-Peña, J., Recent Res. Devel. Electrochem. 8, 225 (2005).Google Scholar
58Chen, G., Song, X., Richardson, T.J., Electrochem. Solid-State Lett. 9, A295 (2006).CrossRefGoogle Scholar
59Mather, G.C., Islam, M.S., Chem. Mater. 17, 1736 (2005).CrossRefGoogle Scholar