SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 87, Issue 10, 2013, Pages

Hydrogen diffusion in the protonic conductor BaCe1-xGd xO3-x2 from density functional theory

(5) Hermet, Jessica a,b Torrent, Marc a Bottin, François a Dezanneau, Guilhem b Geneste, Grégory a

a DIF (France)

b ECOLE CENTRALE PARIS (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84875744962 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.87.104303 Document Type: Article

Times cited : (33)

References (45)

1
- 33751272603
- SSIOD3 0167-2738 10.1016/0167-2738(81)90113-2
- H. Iwahara, T. Esaka, H. Uchida, and N. Maeda, Solid State Ionics SSIOD3 0167-2738 10.1016/0167-2738(81)90113-2 3-4, 359 (1981).
- (1981) Solid State Ionics , vol.34 , pp. 359
- Iwahara, H.¹ Esaka, T.² Uchida, H.³ Maeda, N.⁴

2
- 0020919973
- 3 and its application to solid electrolyte fuel cells
- DOI 10.1016/0167-2738(83)90125-X
- H. Iwahara, H. Uchida, and S. Tanaka, Solid State Ionics SSIOD3 0167-2738 10.1016/0167-2738(83)90125-X 9-10, Part 2, 1021 (1983). (Pubitemid 15506839)
- (1983) Solid State Ionics , vol.9-10 , pp. 1021-1025
- Iwahara Hiroyasu¹ Uchida Hiroyuki² Tanaka Shinichiro³

3
- 0000788090
- JPCHAX 0022-3654 10.1021/j100040a007
- M. Cherry, M. Islam, J. Gale, and C. Catlow, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100040a007 99, 14614 (1995).
- (1995) J. Phys. Chem. , vol.99 , pp. 14614
- Cherry, M.¹ Islam, M.² Gale, J.³ Catlow, C.⁴

4
- 0030182332
- Proton conducting ceramics and their applications
- DOI 10.1016/0167-2738(96)00087-2, PII S0167273896000872
- H. Iwahara, Solid State Ionics SSIOD3 0167-2738 10.1016/0167-2738(96) 00087-2 86-88, Part 1, 9 (1996). (Pubitemid 126360567)
- (1996) Solid State Ionics , vol.86-88 , Issue.PART 1 , pp. 9-15
- Iwahara, H.¹

5
- 0033358887
- Aspects of the formation and mobility of protonic charge carriers and the stability of perovskite-type oxides
- DOI 10.1016/S0167-2738(99)00188-5
- K. D. Kreuer, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(99) 00188-5 125, 285 (1999). (Pubitemid 30501712)
- (1999) Solid State Ionics , vol.125 , Issue.1 , pp. 285-302
- Kreuer, K.D.¹

6
- 84875745659
- in edited by T. Ishihara (Springer, US
- K. D. Kreuer, in Perovskite Oxide for Solid Oxide Fuel Cells, edited by, T. Ishihara, (Springer, US, 2009), pp. 261-272.
- (2009) Perovskite Oxide for Solid Oxide Fuel Cells , pp. 261-272
- Kreuer, K.D.¹

7
- 74049137573
- in edited by T. Ishihara (Springer, US
- T. Norby, in Perovskite Oxide for Solid Oxide Fuel Cells, edited by, T. Ishihara, (Springer, US, 2009), pp. 217-241.
- (2009) Perovskite Oxide for Solid Oxide Fuel Cells , pp. 217-241
- Norby, T.¹

8
- 34548247151
- PRBMDO 1098-0121 10.1103/PhysRevB.76.054307
- M. E. Björketun, P. G. Sundell, and G. Wahnström, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.054307 76, 054307 (2007).
- (2007) Phys. Rev. B , vol.76 , pp. 054307
- Björketun, M.E.¹ Sundell, P.G.² Wahnström, G.³

9
- 34848928702
- PRBMDO 1098-0121 10.1103/PhysRevB.76.094301
- P. G. Sundell, M. E. Björketun, and G. Wahnström, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.76.094301 76, 094301 (2007).
- (2007) Phys. Rev. B , vol.76 , pp. 094301
- Sundell, P.G.¹ Björketun, M.E.² Wahnström, G.³

10
- 34250201517
- 3 perovskite oxide
- DOI 10.1021/cm070291b
- A. Bilić and J. D. Gale, Chem. Mater. CMATEX 0897-4756 10.1021/cm070291b 19, 2842 (2007). (Pubitemid 46904020)
- (2007) Chemistry of Materials , vol.19 , Issue.11 , pp. 2842-2851
- Bilic, A.¹ Gale, J.D.²

11
- 84861826093
- PRBMDO 1098-0121 10.1103/PhysRevB.85.205137
- J. Hermet, F. Bottin, G. Dezanneau, and G. Geneste, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.205137 85, 205137 (2012).
- (2012) Phys. Rev. B , vol.85 , pp. 205137
- Hermet, J.¹ Bottin, F.² Dezanneau, G.³ Geneste, G.⁴

12
- 0030181626
- 3
- DOI 10.1016/0167-2738(96)00229-9, PII S0167273896002299
- W. Münch, G. Seifert, K. Kreuer, and J. Maier, Solid State Ionics 0167-2738 10.1016/0167-2738(96)00229-9 86-88, Part 1, 647 (1996). (Pubitemid 126360676)
- (1996) Solid State Ionics , vol.86-88 , Issue.PART 1 , pp. 647-652
- Munch, W.¹ Seifert, G.² Kreuer, K.D.³ Maier, J.⁴

13
- 0141694360
- ZEAPAA 0372-8323 10.1002/bbpc.19981020339
- K. D. Kreuer, W. Münch, U. Traub, and J. Maier, Berichte der Bunsengesellschaft für physikalische Chemie ZEAPAA 0372-8323 10.1002/bbpc.19981020339 102, 552 (1998).
- (1998) Berichte der Bunsengesellschaft für Physikalische Chemie , vol.102 , pp. 552
- Kreuer, K.D.¹ Münch, W.² Traub, U.³ Maier, J.⁴

14
- 0141694359
- 3 using quantum molecular dynamics
- DOI 10.1016/S0167-2738(00)00304-0
- W. Münch, K.-D. Kreuer, G. Seifert, and J. Maier, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(00)00304-0 136-137, 183 (2000). (Pubitemid 32029527)
- (2000) Solid State Ionics , vol.136-137 , pp. 183-189
- Munch, W.¹ Kreuer, K.-D.² Seifert, G.³ Maier, J.⁴

15
- 70449533121
- CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007
- X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Côté, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2009.07.007 180, 2582 (2009).
- (2009) Comput. Phys. Commun. , vol.180 , pp. 2582
- Gonze, X.¹ Amadon, B.² Anglade, P.-M.³ Beuken, J.-M.⁴ Bottin, F.⁵ Boulanger, P.⁶ Bruneval, F.⁷ Caliste, D.⁸ Caracas, R.⁹ Côté, M.¹⁰

16
- 40249098642
- Large-scale ab initio calculations based on three levels of parallelization
- DOI 10.1016/j.commatsci.2007.07.019, PII S0927025607002091
- F. Bottin, S. Leroux, A. Knyazev, and G. Zérah, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2007.07.019 42, 329 (2008). (Pubitemid 351335266)
- (2008) Computational Materials Science , vol.42 , Issue.2 , pp. 329-336
- Bottin, F.¹ Leroux, S.² Knyazev, A.³ Zerah, G.⁴

17
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

18
- 25744460922
- PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
- P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

19
- 40249084164
- Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
- DOI 10.1016/j.commatsci.2007.07.020, PII S0927025607002108
- M. Torrent, F. Jollet, F. Bottin, G. Zérah, and X. Gonze, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2007.07.020 42, 337 (2008). (Pubitemid 351335267)
- (2008) Computational Materials Science , vol.42 , Issue.2 , pp. 337-351
- Torrent, M.¹ Jollet, F.² Bottin, F.³ Zerah, G.⁴ Gonze, X.⁵

20
- 0036696910
- PRBMDO 1098-0121 10.1103/PhysRevB.66.052301
- W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.66.052301 66, 052301 (2002).
- (2002) Phys. Rev. B , vol.66 , pp. 052301
- Ren, W.¹ Vanden-Eijnden, E.²

21
- 34247881948
- Simplified and improved string method for computing the minimum energy paths in barrier-crossing events
- DOI 10.1063/1.2720838
- W. E, W. Ren, and E. Vanden-Eijnden, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2720838 126, 164103 (2007). (Pubitemid 46691181)
- (2007) Journal of Chemical Physics , vol.126 , Issue.16 , pp. 164103
- Weinan, E.¹ Ren, W.² Vanden-Eijnden, E.³

22
- 0012403450
- PRBMDO 1098-0121 10.1103/PhysRevB.46.14528
- Y. Li and G. Wahnström, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.46.14528 46, 14528 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 14528
- Li, Y.¹ Wahnström, G.²

23
- 56849096515
- PRLTAO 0031-9007 10.1103/PhysRevLett.101.215902
- Q. Zhang, G. Wahnström, M. E. Björketun, S. Gao, and E. Wang, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101.215902 101, 215902 (2008).
- (2008) Phys. Rev. Lett. , vol.101 , pp. 215902
- Zhang, Q.¹ Wahnström, G.² Björketun, M.E.³ Gao, S.⁴ Wang, E.⁵

24
- 0000905542
- JCPSA6 0021-9606 10.1063/1.472900
- V. Barone and C. Adamo, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472900 105, 11007 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 11007
- Barone, V.¹ Adamo, C.²

25
- 34249076311
- Correlations between transition temperature, tolerance factor and cohesive energy in 2+:4+ perovskites
- DOI 10.1088/0953-8984/19/17/176201, PII S0953898407411158
- P. Goudochnikov and A. J. Bell, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/17/176201 19, 176201 (2007). (Pubitemid 46781348)
- (2007) Journal of Physics Condensed Matter , vol.19 , Issue.17 , pp. 176201
- Goudochnikov, P.¹ Bell, A.J.²

26
- 0035546111
- 3: Results from time-of-flight neutron powder diffraction investigations
- DOI 10.1016/S0167-2738(01)00952-3, PII S0167273801009523
- K. Knight, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(01) 00952-3 145, 275 (2001). (Pubitemid 32998054)
- (2001) Solid State Ionics , vol.145 , Issue.1-4 , pp. 275-294
- Knight, K.S.¹

27
- 0031146666
- SSIOD3 0167-2738 10.1016/S0167-2738(97)00093-3
- B.-T. Melekh, V. Egorov, Y. Baikov, N. Kartenko, Y. Filin, M. Kompan, I. Novak, G. Venus, and V. Kulik, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(97)00093-3 97, 465 (1997).
- (1997) Solid State Ionics , vol.97 , pp. 465
- Melekh, B.-T.¹ Egorov, V.² Baikov, Y.³ Kartenko, N.⁴ Filin, Y.⁵ Kompan, M.⁶ Novak, I.⁷ Venus, G.⁸ Kulik, V.⁹

28
- 0000604234
- SSIOD3 0167-2738 10.1016/0167-2738(94)00265-T
- K.-D. Kreuer, A. Fuchs, and J. Maier, Solid State Ionics SSIOD3 0167-2738 10.1016/0167-2738(94)00265-T 77, 157 (1995).
- (1995) Solid State Ionics , vol.77 , pp. 157
- Kreuer, K.-D.¹ Fuchs, A.² Maier, J.³

29
- 0032047720
- SSIOD3 0167-2738 10.1016/S0167-2738(97)00543-2
- R. Hempelmann, M. Soetratmo, O. Hartmann, and R. Wäppling, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(97)00543-2 107, 269 (1998).
- (1998) Solid State Ionics , vol.107 , pp. 269
- Hempelmann, R.¹ Soetratmo, M.² Hartmann, O.³ Wäppling, R.⁴

30
- 0141747295
- SSIOD3 0167-2738 10.1016/S0167-2738(99)00070-3
- R. Glöckner, M. Islam, and T. Norby, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(99)00070-3 122, 145 (1999).
- (1999) Solid State Ionics , vol.122 , pp. 145
- Glöckner, R.¹ Islam, M.² Norby, T.³

31
- 0033357033
- Dopant and proton incorporation in perovskite-type zirconates
- DOI 10.1016/S0167-2738(99)00244-1
- R. Davies, M. Islam, and J. Gale, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(99)00244-1 126, 323 (1999). (Pubitemid 30524207)
- (1999) Solid State Ionics , vol.126 , Issue.3 , pp. 323-335
- Davies, R.A.¹ Islam, M.S.² Gale, J.D.³

32
- 84855264021
- SSIOD3 0167-2738 10.1016/j.ssi.2011.10.008
- T. Tauer, R. O'Hayre, and J. W. Medlin, Solid State Ionics SSIOD3 0167-2738 10.1016/j.ssi.2011.10.008 204-205, 27 (2011).
- (2011) Solid State Ionics , vol.204-205 , pp. 27
- Tauer, T.¹ O'Hayre, R.² Medlin, J.W.³

33
- 0033358732
- Theoretical approach for protonic conduction in perovskite-type oxides
- DOI 10.1016/S0167-2738(99)00155-1
- E. Matsushita and T. Sasaki, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(99)00155-1 125, 31 (1999). (Pubitemid 30501681)
- (1999) Solid State Ionics , vol.125 , Issue.1 , pp. 31-37
- Matsushita, E.¹ Sasaki, T.²

34
- 28944444412
- A kinetic Monte Carlo study of proton diffusion in disordered perovskite structured lattices based on first-principles calculations
- DOI 10.1016/j.ssi.2005.09.044, PII S0167273805005023
- M. E. Björketun, P. G. Sundell, G. Wahnström, and D. Engberg, Solid State Ionics SSIOD3 0167-2738 10.1016/j.ssi.2005.09.044 176, 3035 (2005). (Pubitemid 41781939)
- (2005) Solid State Ionics , vol.176 , Issue.39-40 , pp. 3035-3040
- Bjorketun, M.E.¹ Sundell, P.G.² Wahnstrom, G.³ Engberg, D.⁴

35
- 25144511507
- The effect of octahedral tilting on proton binding sites and transition states in pseudo-cubic perovskite oxides
- DOI 10.1063/1.2035099, 094703
- M. A. Gomez, M. A. Griffin, S. Jindal, K. D. Rule, and V. R. Cooper, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2035099 123, 094703 (2005). (Pubitemid 41334772)
- (2005) Journal of Chemical Physics , vol.123 , Issue.9 , pp. 1-10
- Gomez, M.A.¹ Griffin, M.A.² Jindal, S.³ Rule, K.D.⁴ Cooper, V.R.⁵

36
- 84875693278
- Ph.D. thesis, Université de Nantes
- K. Rasim, Ph.D. thesis, Université de Nantes, 2011.
- (2011)
- Rasim, K.¹

37
- 0141805874
- 3
- DOI 10.1016/S0167-2738(99)00156-3
- W. Münch, K.-D. Kreuer, G. Seifert, and J. Maier, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(99)00156-3 125, 39 (1999). (Pubitemid 30501682)
- (1999) Solid State Ionics , vol.125 , Issue.1 , pp. 39-45
- Munch, W.¹ Kreuer, K.-D.² Seifertli, G.³ Majer, J.⁴

38
- 65949119744
- JCPSA6 0021-9606 10.1063/1.3122984
- B. Merinov and W. G. III, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3122984 130, 194707 (2009).
- (2009) J. Chem. Phys. , vol.130 , pp. 194707
- Merinov, B.¹ Iii, W.G.²

39
- 0141635282
- PHTRDP 0141-1594 10.1080/01411599908224535
- W. Münch, K. D. Kreuer, Adams, G. Seifert, and J. Maier, Phase Transitions PHTRDP 0141-1594 10.1080/01411599908224535 68, 567 (1999).
- (1999) Phase Transitions , vol.68 , pp. 567
- Münch, W.¹ Kreuer, K.D.² Seifert, G.³ Maier, J.⁴

40
- 0034839693
- CMATEX 0897-4756 10.1021/cm010005a
- M. S. Islam, R. A. Davies, and J. D. Gale, Chem. Mater. CMATEX 0897-4756 10.1021/cm010005a 13, 2049 (2001).
- (2001) Chem. Mater. , vol.13 , pp. 2049
- Islam, M.S.¹ Davies, R.A.² Gale, J.D.³

41
- 15944396858
- 3 (A=Ca, Sr, Ba)
- DOI 10.1016/j.ssi.2004.12.011, PII S0167273805000020
- C. Shi, M. Yoshino, and M. Morinaga, Solid State Ionics SSIOD3 0167-2738 10.1016/j.ssi.2004.12.011 176, 1091 (2005). (Pubitemid 40429230)
- (2005) Solid State Ionics , vol.176 , Issue.11-12 , pp. 1091-1096
- Shi, C.¹ Yoshino, M.² Morinaga, M.³

42
- 34249086892
- Comparison of proton conduction in KTa O3 and SrZr O3
- DOI 10.1063/1.2735592
- M. A. Gomez, S. Jindal, K. M. Fletcher, L. S. Foster, N. D. A. Addo, D. Valentin, C. Ghenoiu, and A. Hamilton, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2735592 126, 194701 (2007). (Pubitemid 46794139)
- (2007) Journal of Chemical Physics , vol.126 , Issue.19 , pp. 194701
- Gomez, M.A.¹ Jindal, S.² Fletcher, K.M.³ Foster, L.S.⁴ Addo, N.D.A.⁵ Valentin, D.⁶ Ghenoiu, C.⁷ Hamilton, A.⁸

43
- 42449121790
- 3
- DOI 10.1088/0953-8984/20/14/145217, PII S0953898408700730
- Émile Bévillon, A. Chesnaud, Y. Wang, G. Dezanneau, and G. Geneste, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/20/14/ 145217 20, 145217 (2008). (Pubitemid 351570037)
- (2008) Journal of Physics Condensed Matter , vol.20 , Issue.14 , pp. 145217
- Bevillon, E.¹ Chesnaud, A.² Wang, Y.³ Dezanneau, G.⁴ Geneste, G.⁵

44
- 48349134261
- SSIOD3 0167-2738 10.1016/j.ssi.2008.01.034
- A. Bilić and J. D. Gale, Solid State Ionics SSIOD3 0167-2738 10.1016/j.ssi.2008.01.034 179, 871 (2008).
- (2008) Solid State Ionics , vol.179 , pp. 871
- Bilić, A.¹ Gale, J.D.²

45
- 0141524163
- SSIOD3 0167-2738 10.1016/S0167-2738(97)00085-4
- W. Münch, G. Seifert, K. Kreuer, and J. Maier, Solid State Ionics SSIOD3 0167-2738 10.1016/S0167-2738(97)00085-4 97, 39 (1997).
- (1997) Solid State Ionics , vol.97 , pp. 39
- Münch, W.¹ Seifert, G.² Kreuer, K.³ Maier, J.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.