-
4
-
-
4244129856
-
Relations between the concentrations of imperfections in crystalline solids
-
Kröger F., and Vink H. Relations between the concentrations of imperfections in crystalline solids. Solid State Physics 3 (1956) 307-435
-
(1956)
Solid State Physics
, vol.3
, pp. 307-435
-
-
Kröger, F.1
Vink, H.2
-
6
-
-
33645306589
-
Electrochemical incorporation of Nitrogen into a Zirconia solid electrolyte
-
Valov I., Korte C., De Souza R., Martin M., and Janek J. Electrochemical incorporation of Nitrogen into a Zirconia solid electrolyte. Electrochemical and Solid-State Letters 9 (2006) F23
-
(2006)
Electrochemical and Solid-State Letters
, vol.9
-
-
Valov, I.1
Korte, C.2
De Souza, R.3
Martin, M.4
Janek, J.5
-
8
-
-
33947146280
-
Preparation of nitrogen-doped YSZ thin films by pulsed laser deposition and their characterization
-
Valov I., De Souza R., Wang C., Börger A., Korte C., Martin M., Becker K., and Janek J. Preparation of nitrogen-doped YSZ thin films by pulsed laser deposition and their characterization. Journal of Materials Science 42 6 (2007) 1931-1941
-
(2007)
Journal of Materials Science
, vol.42
, Issue.6
, pp. 1931-1941
-
-
Valov, I.1
De Souza, R.2
Wang, C.3
Börger, A.4
Korte, C.5
Martin, M.6
Becker, K.7
Janek, J.8
-
9
-
-
33847113955
-
Molecular dynamics calculations of anion diffusion in nitrogen-doped yttria-stabilized zirconia
-
Kilo M., Homann T., and Bredow T. Molecular dynamics calculations of anion diffusion in nitrogen-doped yttria-stabilized zirconia. Philosophical Magazine 87 6 (2007) 843-852
-
(2007)
Philosophical Magazine
, vol.87
, Issue.6
, pp. 843-852
-
-
Kilo, M.1
Homann, T.2
Bredow, T.3
-
10
-
-
64949204002
-
Modelling of anion transport in YZrON
-
Kilo M., and Bredow T. Modelling of anion transport in YZrON. Diffusion Fundamentals 2 (2005) 22.1-22.2
-
(2005)
Diffusion Fundamentals
, vol.2
-
-
Kilo, M.1
Bredow, T.2
-
11
-
-
34447616980
-
The impact of nitrogen mobility on the activity of zirconium oxynitride catalysts for ammonia decomposition
-
Soerijanto H., Rödel C., Wild U., Lerch M., Schomäcker R., Schlögl R., and Ressler T. The impact of nitrogen mobility on the activity of zirconium oxynitride catalysts for ammonia decomposition. Journal of Catalysis 250 1 (2007) 19-24
-
(2007)
Journal of Catalysis
, vol.250
, Issue.1
, pp. 19-24
-
-
Soerijanto, H.1
Rödel, C.2
Wild, U.3
Lerch, M.4
Schomäcker, R.5
Schlögl, R.6
Ressler, T.7
-
12
-
-
0000325623
-
Cation doping and oxygen diffusion in zirconia: a combined atomistic simulation and molecular dynamics study
-
Khan M., Islam M., and Bates D. Cation doping and oxygen diffusion in zirconia: a combined atomistic simulation and molecular dynamics study. Journal of Materials Chemistry 8 10 (1998) 2299-2307
-
(1998)
Journal of Materials Chemistry
, vol.8
, Issue.10
, pp. 2299-2307
-
-
Khan, M.1
Islam, M.2
Bates, D.3
-
13
-
-
0001058172
-
Ab initio Hartree-Fock study of tetragonal and cubic phases of zirconium dioxide
-
Orlando R., Pisani C., Roetti C., and Stefanovich E. Ab initio Hartree-Fock study of tetragonal and cubic phases of zirconium dioxide. Physical Review B 45 2 (1992) 592-601
-
(1992)
Physical Review B
, vol.45
, Issue.2
, pp. 592-601
-
-
Orlando, R.1
Pisani, C.2
Roetti, C.3
Stefanovich, E.4
-
14
-
-
0000273760
-
Ab initio study of structural and electronic properties of yttria-stabilized cubic zirconia
-
Stapper G., Bernasconi M., Nicoloso N., and Parrinello M. Ab initio study of structural and electronic properties of yttria-stabilized cubic zirconia. Physical Review B 59 2 (1999) 797-810
-
(1999)
Physical Review B
, vol.59
, Issue.2
, pp. 797-810
-
-
Stapper, G.1
Bernasconi, M.2
Nicoloso, N.3
Parrinello, M.4
-
15
-
-
0042950395
-
Structural properties and quasiparticle band structure of zirconia
-
Králik B., Chang E., and Louie S. Structural properties and quasiparticle band structure of zirconia. Physical Review B 57 12 (1998) 7027-7036
-
(1998)
Physical Review B
, vol.57
, Issue.12
, pp. 7027-7036
-
-
Králik, B.1
Chang, E.2
Louie, S.3
-
16
-
-
0034905226
-
Defect ordering in aliovalently doped cubic zirconia from first principles
-
Bogicevic A., Wolverton C., Crosbie G., and Stechel E. Defect ordering in aliovalently doped cubic zirconia from first principles. Physical Review B 64 1 (2001) 14106
-
(2001)
Physical Review B
, vol.64
, Issue.1
, pp. 14106
-
-
Bogicevic, A.1
Wolverton, C.2
Crosbie, G.3
Stechel, E.4
-
17
-
-
1542621006
-
First-principles calculations for the surface termination of pure and yttria-doped zirconia surfaces
-
Eichler A., and Kresse G. First-principles calculations for the surface termination of pure and yttria-doped zirconia surfaces. Physical Review B 69 4 (2004) 45402
-
(2004)
Physical Review B
, vol.69
, Issue.4
, pp. 45402
-
-
Eichler, A.1
Kresse, G.2
-
18
-
-
0000823508
-
Comparison of the bulk and surface properties of Ceria and Zirconia by ab initio investigations
-
Gennard S., Cora F., and Catlow C. Comparison of the bulk and surface properties of Ceria and Zirconia by ab initio investigations. Journal of Physical Chemistry B 103 46 (1999) 10158-10170
-
(1999)
Journal of Physical Chemistry B
, vol.103
, Issue.46
, pp. 10158-10170
-
-
Gennard, S.1
Cora, F.2
Catlow, C.3
-
19
-
-
19544364832
-
Ab initio study of yttria-stabilized cubic zirconia surfaces
-
Ballabio G., Bernasconi M., Pietrucci F., and Serra S. Ab initio study of yttria-stabilized cubic zirconia surfaces. Physical Review B 70 7 (2004) 75417
-
(2004)
Physical Review B
, vol.70
, Issue.7
, pp. 75417
-
-
Ballabio, G.1
Bernasconi, M.2
Pietrucci, F.3
Serra, S.4
-
20
-
-
0001074582
-
First-principles study of the surfaces of zirconia
-
Christensen A., and Carter E. First-principles study of the surfaces of zirconia. Physical Review B 58 12 (1998) 8050-8064
-
(1998)
Physical Review B
, vol.58
, Issue.12
, pp. 8050-8064
-
-
Christensen, A.1
Carter, E.2
-
21
-
-
33747351341
-
Interaction of water with titania and zirconia surfaces
-
Ignatchenko A., Nealon D., Dushane R., and Humphries K. Interaction of water with titania and zirconia surfaces. Journal of Molecular Catalysis A Chemical 256 1-2 (2006) 57-74
-
(2006)
Journal of Molecular Catalysis A Chemical
, vol.256
, Issue.1-2
, pp. 57-74
-
-
Ignatchenko, A.1
Nealon, D.2
Dushane, R.3
Humphries, K.4
-
22
-
-
0026915335
-
Ab initio study of the bare and hydrated (0 0 1) surface of tetragonal zirconia
-
Orlando R., Pisani C., Ruiz E., and Sautet P. Ab initio study of the bare and hydrated (0 0 1) surface of tetragonal zirconia. Surface Science 275 3 (1992) 482-492
-
(1992)
Surface Science
, vol.275
, Issue.3
, pp. 482-492
-
-
Orlando, R.1
Pisani, C.2
Ruiz, E.3
Sautet, P.4
-
25
-
-
34047259509
-
Theoretical investigation of nitrogen substitution in cubic zirconia
-
Bredow T. Theoretical investigation of nitrogen substitution in cubic zirconia. Physical Review B 75 14 (2007) 144102
-
(2007)
Physical Review B
, vol.75
, Issue.14
, pp. 144102
-
-
Bredow, T.1
-
26
-
-
64949089346
-
Electrochemical activation of molecular nitrogen
-
submitted for publication
-
I. Valov, B. Luerssen, E. Mutoro, R.D. Souza, T. Bredow, S. Günther, L. Gregoratti, A. Barinov, P. Dudin, M. Martin, J. Janek, Electrochemical activation of molecular nitrogen, submitted for publication.
-
-
-
Valov, I.1
Luerssen, B.2
Mutoro, E.3
Souza, R.D.4
Bredow, T.5
Günther, S.6
Gregoratti, L.7
Barinov, A.8
Dudin, P.9
Martin, M.10
Janek, J.11
-
27
-
-
33750014786
-
Kinetic studies of the electrochemical nitrogen reduction and incorporation into yttria stabilized zirconia
-
Valov I., and Janek J. Kinetic studies of the electrochemical nitrogen reduction and incorporation into yttria stabilized zirconia. Solid State Ionics 177 19-25 (2006) 1619-1624
-
(2006)
Solid State Ionics
, vol.177
, Issue.19-25
, pp. 1619-1624
-
-
Valov, I.1
Janek, J.2
-
28
-
-
78650830129
-
-
R. Dovesi, V. Saunders, C. Roetti, R. Orlando, C.M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. Harrison, I. Bush, P. D'Arco, M. Llunell Eds, University of Torino, Torino
-
R. Dovesi, V. Saunders, C. Roetti, R. Orlando, C.M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. Harrison, I. Bush, P. D'Arco, M. Llunell (Eds.), CRYSTAL06 User's Manual, University of Torino, Torino, 2006.
-
(2006)
CRYSTAL06 User's Manual
-
-
-
29
-
-
0000511775
-
Effect of exchange and correlation on bulk properties of MgO, NiO, and CoO
-
Bredow T., and Gerson A. Effect of exchange and correlation on bulk properties of MgO, NiO, and CoO. Physical Review B 61 8 (2000) 5194-5201
-
(2000)
Physical Review B
, vol.61
, Issue.8
, pp. 5194-5201
-
-
Bredow, T.1
Gerson, A.2
-
33
-
-
0037016012
-
A stabilization mechanism of zirconia based on oxygen vacancies only
-
Fabris S., Paxton A., and Finnis M. A stabilization mechanism of zirconia based on oxygen vacancies only. Acta Materialia 50 20 (2002) 5171-5178
-
(2002)
Acta Materialia
, vol.50
, Issue.20
, pp. 5171-5178
-
-
Fabris, S.1
Paxton, A.2
Finnis, M.3
-
34
-
-
0347616372
-
- radical anion reversibly formed at the surface of electron-rich alkaline-earth oxides
-
- radical anion reversibly formed at the surface of electron-rich alkaline-earth oxides. Journal of Physical Chemistry B 104 9 (2000) 1887-1890
-
(2000)
Journal of Physical Chemistry B
, vol.104
, Issue.9
, pp. 1887-1890
-
-
Giamello, E.1
Paganini, M.2
Chiesa, M.3
Murphy, D.4
Pacchioni, G.5
Soave, R.6
Rockenbauer, A.7
|