Transition-Metal Perovskites

Abakumov, Artem M.; Tsirlin, Alexander A.; Антипов, Е.В.

doi:10.1016/b978-0-08-097774-4.00201-1

Cited by 12 publications

(32 citation statements)

References 503 publications

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“…The aforementioned chemical and mechanical perturbations all preserve the BO 6 octahedral connectivity-the octahedra remain corner-connected in cubic perovskites with abc/abc cubic-close packing of AO 3 layers along [111]. Alternative octahedral connectivies, including edge-and facesharing, are found either alone or coexisting with corner-shared octahedra in many complex oxides; 20 however, the impacts of such connectivity differences on physical properties 21 and the dependencies with composition 22 are often less understood. These facts in part explain why connectivity remains to be exploited for property control.…”

Section: Introductionmentioning

confidence: 99%

Property control from polyhedral connectivity in ABO3 oxides

2019

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We investigate the effect of the degree of metal-oxygen octahedral facesharing on the mechanical and electronic properties of d 0 BaTiO3 and d 3 BaMnO3. We find that increased facesharing softens the elastic constants of both materials due to the increased volume per atom, with polar distortions also contributing to the reduction in the bulk modulus. Owing to orbital filling in the d manifold, we find the electronic band gap of BaTiO3 is relatively unaffected by changes in percent facesharing whereas the band gap of BaMnO3 increases by more than 200 % as the percent facesharing increases from 0 % (cubic perovskite) to 100 % (hexagonal BaNiO3 perovskite). We identify that the trigonal distortions present in the face-connected polymorphs represent useful atomistic structural knobs to tune band structure in hexagonal perovskites. Our results indicate that facesharing hexagonal polymorphs provide an expanded oxides arena with additional structural flexibility beyond the usual fully-corner-connected perovskites for property control.

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Section: Introductionmentioning

confidence: 99%

Property control from polyhedral connectivity in ABO3 oxides

2019

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“…The versatility originates from the ability of BO 6 octahedra to rotate in different manners and adjust the sizes of cavities to the size and number of different A cations. The rotations of BO 6 octahedra are usually described by the Glazer tilt system and BÀOÀB bond angles, [2] and there are basically 15 tilt systems in ABO 3 perovskites. [3] The other versatility can originate from the presence and ordering of oxygen vacancies (but sometimes cation vacancies), which, in turn, can drive different cation orders.…”

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confidence: 99%

“…The rotations of BO 6 octahedra are usually described by the Glazer tilt system and BÀOÀB bond angles, [2] and there are basically 15 tilt systems in ABO 3 perovskites. [3] The other versatility can originate from the presence and ordering of oxygen vacancies (but sometimes cation vacancies), which, in turn, can drive different cation orders. [3,4] In oxygen and cation stoichiometric perovskites, different A and B cations can be distributed randomly in the A and B sites or can form different short-range and long-range ordered structures.…”

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confidence: 99%

“…[3] The other versatility can originate from the presence and ordering of oxygen vacancies (but sometimes cation vacancies), which, in turn, can drive different cation orders. [3,4] In oxygen and cation stoichiometric perovskites, different A and B cations can be distributed randomly in the A and B sites or can form different short-range and long-range ordered structures. There exists the 1 : 1, 1 : 2 and 1 : 3 B-site and A-site ordered structures (a higher degree of ordering is extremely rare).…”

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confidence: 99%

“…[11] There are four Glazer octahedral tilt systems that result in Asite ordering: a + a + a + (1 : 3), a + a + c À (1 : 1 : 2), a 0 b + b + (1 : 1 : 2) and a 0 b + b À (1 : 1), [4,6] where numbers in parenthesis give the number and ratio among non-equivalent A sites. [Note that a + b + c + and a + b À c À tilts can also formally give A-site ordering; [3] however, they present small deviations from the a + a + a + and a + b À b À tilts.] These numbers show that the a + a + c À (1 : 1 : 2) and a 0 b + b + (1 : 1 : 2) tilt systems could produce intrinsic triple orders at the A sites.…”

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Intrinsic Triple Order in A‐site Columnar‐Ordered Quadruple Perovskites: Proof of Concept

et al. 2018

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There is an emerging topic in the science of perovskite materials: A-site columnar-ordered A A'A''B O quadruple perovskites, which have an intrinsic triple order at the A sites. However, in many examples reported so far, A' and A'' cations are the same, and the intrinsic triple order is hidden. Here, we investigate structural properties of Dy CuMnMn O (1) and Ho MnGaMn O (2) by neutron and X-ray powder diffraction and prove the triple order at the A sites. The cation distributions determined are [Ho ] [Mn] [Ga Mn ] [Mn Ga ] O and [Dy ] [Cu Mn ] [Mn Dy ] [Mn Cu ] [Mn ] O . There are clear signatures of Jahn-Teller distortions in 1 and 2, and the orbital pattern is combined with an original type of charge ordering in 1. Columnar-ordered quadruple perovskites represent a new playground to study complex interactions between different electronic degrees of freedom. No long-range magnetic order was found in 2 by neutron diffraction, and its magnetic properties in low fields are dominated by an impurity with negative magnetization or magnetization reversal. On the other hand, 1 shows three magnetic transitions at 21, 125, and 160 K.

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Strategic Design and Insights into Lanthanum and Strontium Perovskite Oxides for Oxygen Reduction and Oxygen Evolution Reactions

Ingavale,

Gopalakrishnan,

Enoch

et al. 2024

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Perovskite oxides exhibit bifunctional activity for both oxygen reduction (ORR) and oxygen evolution reactions (OER), making them prime candidates for energy conversion in applications like fuel cells and metal‐air batteries. Their intrinsic catalytic prowess, combined with low‐cost, abundance, and diversity, positions them as compelling alternatives to noble metal and metal oxides catalysts. This review encapsulates the nuances of perovskite oxide structures and synthesis techniques, providing insight into pivotal active sites that underscore their bifunctional behavior. The focus centers on the breakthroughs surrounding lanthanum (La) and strontium (Sr)‐based perovskite oxides, specifically their roles in zinc‐air batteries (ZABs). An introduction to the mechanisms of ORR and OER is provided. Moreover, the light is shed on strategies and determinants central to optimizing the bifunctional performance of La and Sr‐based perovskite oxides.

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Transition-Metal Perovskites

Cited by 12 publications

References 503 publications

Property control from polyhedral connectivity in ABO3 oxides

Property control from polyhedral connectivity in ABO3 oxides

Intrinsic Triple Order in A‐site Columnar‐Ordered Quadruple Perovskites: Proof of Concept

Strategic Design and Insights into Lanthanum and Strontium Perovskite Oxides for Oxygen Reduction and Oxygen Evolution Reactions

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