Journal ArticleDOI
The role of the inductive effect in solid state chemistry: how the chemist can use it to modify both the structural and the physical properties of the materials
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In this paper, the concept of inductive effect has been extended to solid-state chemistry, which is well known in organic chemistry and has been validated in solid ternary compounds.About:
This article is published in Journal of Alloys and Compounds.The article was published on 1992-10-19. It has received 127 citations till now. The article focuses on the topics: Inductive effect & Electronegativity.read more
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Organohalide lead perovskites for photovoltaic applications
TL;DR: In this paper, a brief history of perovskite materials for photovoltaic applications is reported, the current state-of-the-art is distilled and the basic working mechanisms have been discussed.
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A map of the inorganic ternary metal nitrides
Wenhao Sun,Christopher J. Bartel,Elisabetta Arca,Sage R. Bauers,Bethany E. Matthews,Bernardo Orvananos,Bor-Rong Chen,Michael F. Toney,Laura T. Schelhas,William Tumas,Janet Tate,Andriy Zakutayev,Stephan Lany,Aaron M. Holder,Aaron M. Holder,Gerbrand Ceder,Gerbrand Ceder +16 more
TL;DR: In this article, a large-scale stability map of the inorganic ternary metal nitrides was constructed by extracting the mixed metallicity, ionicity and covalency of solid-state bonding from the density functional theory (DFT)-computed electron density.
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Formulation of phosphorescence mechanisms in inorganic solids based on a new model of defect conglomeration
F. Clabau,Xavier Rocquefelte,T. Le Mercier,Philippe Deniard,Stéphane Jobic,Myung-Hwan Whangbo +5 more
TL;DR: In this paper, the authors explored the phosphorescence mechanisms of various phosphors by taking into consideration the presence of interactions between dopant cations and vacancies as well as the effect of co-dopants on these interactions.
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Inverse spinel NiFeAlO4 as a highly active oxygen evolution electrocatalyst: promotion of activity by a redox-inert metal ion
TL;DR: In this paper, a well-defined NiFeAlO4 inverse spinel catalyst has been characterized, which shows activity exceeding previously reported catalysts of similar composition and/or structure, including NiO, NiFe (9':'1), and NiFe2O4.
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Experimental and Theoretical Characterization of the Optical Properties of CeO2, SrCeO3, and Sr2CeO4 Containing Ce4+ (f0) Ions
Fabrice Goubin,Xavier Rocquefelte,Myung-Hwan Whangbo,Yvan Montardi,and Raymond Brec,Stéphane Jobic +5 more
TL;DR: In this paper, the optical properties of three materials, namely, CeO2, SrCeO3, and Sr2CoeO4, were examined by UV−visible diffuse reflectance measurements and electron energy-loss spectroscopy (EELS), and their electronic structures were investigated on the basis of first-principles density functional theory (DFT) calculations.
References
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Hard and soft acids and bases, HSAB, part 1: Fundamental principles
TL;DR: Using the principles of hard and soft acids and bases to estimate the strength and softness of an acid or base was proposed in this article, where the soft acid base was considered.
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A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities
TL;DR: In this paper, a new approximate "absolute" scale of electronegativity, or electroaffinity, is set up, which is equal to the average of ionization potential and electron affinity.
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Electronegativity. I. Orbital Electronegativity of Neutral Atoms
Jurgen. Hinze,H. H. Jaffe +1 more