Journal ArticleDOI
Electron localization determines defect formation on ceria substrates.
Friedrich Esch,Stefano Fabris,Ling Zhou,Tiziano Montini,Cristina Africh,Paolo Fornasiero,Giovanni Comelli,Renzo Rosei +7 more
TLDR
High-resolution scanning tunneling microscopy and density functional calculations are used to unravel the local structure of surface and subsurface oxygen vacancies on the ceria surface and have implications for the understanding of oxidation processes on reducible rare-earth oxides.Abstract:
The high performance of ceria (CeO2) as an oxygen buffer and active support for noble metals in catalysis relies on an efficient supply of lattice oxygen at reaction sites governed by oxygen vacancy formation. We used high-resolution scanning tunneling microscopy and density functional calculations to unravel the local structure of surface and subsurface oxygen vacancies on the (111) surface. Electrons left behind by released oxygen localize on cerium ions. Clusters of more than two vacancies exclusively expose these reduced cerium ions, primarily by including subsurface vacancies, which therefore play a crucial role in the process of vacancy cluster formation. These results have implications for our understanding of oxidation processes on reducible rare-earth oxides.read more
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Nanomaterials with enzyme-like characteristics (nanozymes): next-generation artificial enzymes
Hui Wei,Erkang Wang +1 more
TL;DR: This review discusses various nanomaterials that have been explored to mimic different kinds of enzymes and covers their kinetics, mechanisms and applications in numerous fields, from biosensing and immunoassays, to stem cell growth and pollutant removal.
Journal ArticleDOI
Fundamentals and Catalytic Applications of CeO2-Based Materials
TL;DR: This review has a wide view on all those aspects related to ceria which promise to produce an important impact on the authors' life, encompassing fundamental knowledge of CeO2 and its properties, characterization toolbox, emerging features, theoretical studies, and all the catalytic applications, organized by their degree of establishment on the market.
Journal ArticleDOI
Reactive Oxygen Species (ROS)-Based Nanomedicine.
Bowen Yang,Yu Chen,Jianlin Shi +2 more
TL;DR: In this article, the intrinsic biochemical properties of reactive oxygen species (ROS) underlie the mechanisms that regulate various physiological functions of living organisms, and they play an essential role in regulating various physiological function.
Journal ArticleDOI
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
TL;DR: In this article, structural and electronic properties and energetic quantities related to the formation of oxygen defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen vacancies in particular, play a major role in a variety of technological applications.
Journal ArticleDOI
Oxygen Vacancies and Catalysis on Ceria Surfaces
TL;DR: Esch et al. as mentioned in this paper used scanning tunneling microscopy combined with density functional theory to reveal the geometric and electronic structure of these oxygen vacancies, which suggests a mechanism for the rather surprising zirconia promotion of ceria catalysts.
References
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Journal ArticleDOI
Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
TL;DR: In this paper, a simplified rotational-invariant formulation of the LDA+LDA+U+U algorithm is proposed. Butler and Srinivasan proposed a linear response approach that is internally consistent with the chosen definition for the occupation matrix of the relevant localized orbitals.
Journal ArticleDOI
Active Nonmetallic Au and Pt Species on Ceria-Based Water-Gas Shift Catalysts
TL;DR: It is reported here that for the class of nanostructured gold– or platinum–cerium oxide catalysts, which are active for the water-gas shift reaction, metal nanoparticles do not participate in the reaction.
Journal ArticleDOI
Direct oxidation of hydrocarbons in a solid-oxide fuel cell
TL;DR: The observation that a solid-oxide fuel cell can be operated on dry hydrocarbons, including liquid fuels, without reforming, suggests that this type of fuel cell could provide an alternative to hydrogen-based fuel-cell technologies.
Journal ArticleDOI
The Structure of Catalytically Active Gold on Titania
Mingshu Chen,D. W. Goodman +1 more
TL;DR: Kinetic measurements for the catalytic oxidation of carbon monoxide show that the gold bilayer structure is significantly more active than the monolayer, thus eliminating particle shape and direct support effects.
Book
Catalysis by Ceria and Related Materials
TL;DR: The use of ceria-based catalysts in automotive catalysts was discussed in this paper, where the authors showed that the properties and thermal stability of Ceria-zirconia and related materials can be characterized using surface analysis techniques.