2011
DOI: 10.1002/adma.201103352
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On the Existence of A‐Site Deficiency in Perovskites and Its Relation to the Electrochemical Performance

Abstract: The low range of A-site deficiency in perovskite structures with Ni cations was verified by neutron powder diffraction, transmission electron microscopy, and thermogravimetric analysis. A thermodynamic approach has been utilized, for the first time, to predict the extent of A-site deficiencies within the perovskite structure, introducing simple prediction criteria that could be adopted for designing advanced materials.

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Cited by 90 publications
(73 citation statements)
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References 28 publications
(47 reference statements)
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“…The energy value can be calculated from the enthalpy of formation of metal oxides, the sublimation energy of metal and the oxygen dissociation of the original oxides [36][37][38]. Moreover, ABE can be also used as a predictor to estimate the extent of A-site deficiency in perovskites [39]. The results of our calculations for ABE of SrNb 0.1 Co 0.9−x Fe x O 3−ı perovskites are plotted in Fig.…”
Section: Resultsmentioning
confidence: 99%
“…The energy value can be calculated from the enthalpy of formation of metal oxides, the sublimation energy of metal and the oxygen dissociation of the original oxides [36][37][38]. Moreover, ABE can be also used as a predictor to estimate the extent of A-site deficiency in perovskites [39]. The results of our calculations for ABE of SrNb 0.1 Co 0.9−x Fe x O 3−ı perovskites are plotted in Fig.…”
Section: Resultsmentioning
confidence: 99%
“…[ 215 ] More recently, Konysheva wileyonlinelibrary.com neutron powder diffraction, high-resolution TEM and TGA to investigate the nominal A-site defi cient LNF64 samples. [ 231,232 ] They confi rmed that the nominal A-site defi cient LNF64 was actually much closer to a stoichiometric LNF. The LNF with a high fraction of Ni on its B-site had an average B-O bonding energy close to 170 kJ mol −1 .…”
Section: Perovskite-type Metal Oxidesmentioning
confidence: 97%
“…The generality of the concept can be further refined by tuning the particle nucleation/growth balance through prudent adjustment of driving forces of 'intrinsic' nature (defect type and concentration, cation composition) or 'extrinsic' nature (pO 2 , temperature, atmosphere). The concept may be extended to other perovskites since A-site vacancies can be accommodated in various concentrations and for a wide variety of B-site cations [34][35][36][37][38][39][40][41][42][43] , and, potentially transferred to other oxide systems.…”
Section: Perspectives and Implications Of The Phenomenonmentioning
confidence: 99%