Theoretical study of the density of states and magnetic properties of electron-doped Sr1−xCexCoO3 compounds

Sun, Aimin; Xiu’e, Zhang; Kang, Yong; Yang, Guang; Wang, Shunqing; Zhang, Tao; Huang, Guohai; Zhu, Hao

doi:10.1016/j.physb.2007.10.231

Cited by 5 publications

(2 citation statements)

References 28 publications

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“…Though advantages of band theory as a valuable tool to investigate and model properties of several classes of oxide systems have been argued [17], the most performed band structure calculations concern unique magnetic properties of some oxides. The applications of quantum chemical approaches for investigation of mixed ionic-electronic conductivity are infrequent instances [18][19][20][21][22][23]. In Ref.…”

Section: Introductionmentioning

confidence: 99%

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Electronic structures of mixed ionic–electronic conductors SrCoO

Tapilin

Cholach

Bulgakov

2010

Journal of Physics and Chemistry of Solids

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Section: Introductionmentioning

confidence: 99%

“…Theoretical study of electronic properties of electron-doped Sr 1 À x Ce x CoO 3 compounds has been performed in Ref. [22]. The electronic structure of brownmillerit SrCoO 2.5 crystal has been investigated in Ref.…”

Section: Introductionmentioning

confidence: 99%

Electronic structures of mixed ionic–electronic conductors SrCoO

Tapilin

Cholach

Bulgakov

2010

Journal of Physics and Chemistry of Solids

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The Perfect Imperfections of Perovskite Oxide Catalysts in the Aspect of Defect Equilibria

Christy,

Choi,

Kwon

et al. 2024

Small Science

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ABX3 (X = O) perovskite oxides are an uprising class of alternative electrocatalysts in eminent technologies like electrocatalysis, photocatalysis, thermocatalysis, and energy storage. The perquisites of perovskite oxide catalysts encompass ordered atomic structure, structural/compositional extensibility, flexible electronic structure, lucrativeness, and so on. The ingenuity to precisely control and tune the inherent properties by reconstructing their crystal structure is particularly advantageous in electrocatalysis reactions like oxygen reduction and evolution reactions (ORR and OER). Incorporating multidimensional imperfections in the presumably perfect crystal structure of the perovskite catalysts is garnering booming attention among researchers. This concept can expertly influence the electronic structure and boost the reaction kinetics during electrocatalysis. Defects or imperfections are achieved by substituting A‐ and/or B‐sites with heteroatoms or by oxygen vacancies. Defect engineering points to a promising new direction in the development of perovskite oxide catalysts. This work surveys the recent progress in defect engineering and how it plays a vital role in their design, and application in electrocatalysis, mainly ORR/OER. The architecture, dimensionality, and the types of perovskite oxides based on their cations, crystal structures, and stoichiometries are surveyed for a comprehensive understanding. This review aims to provide an extensive outlook on oxide perovskite catalysts concerning structural defects.

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Theoretical Study on the Spin-State Transition of Electron-Doped Sr2−x La x CoO4 Compounds

Xiu’e

Kang

2012

J Low Temp Phys

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Theoretical study of the density of states and magnetic properties of electron-doped Sr1−xCexCoO3 compounds

Cited by 5 publications

References 28 publications

Electronic structures of mixed ionic–electronic conductors SrCoO

Electronic structures of mixed ionic–electronic conductors SrCoO

The Perfect Imperfections of Perovskite Oxide Catalysts in the Aspect of Defect Equilibria

Theoretical Study on the Spin-State Transition of Electron-Doped Sr2−x La x CoO4 Compounds

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