Energetics of Al13 Keggin cluster compounds
نویسندگان
چکیده
منابع مشابه
Study on the hydrolysis/precipitation behavior of Keggin Al13 and Al30 polymers in polyaluminum solutions.
The hydrolysis/precipitation behaviors of Al(3+), Al(13) and Al(30) under conditions typical for flocculation in water treatment were investigated by studying the particulates' size development, charge characteristics, chemical species and speciation transformation of coagulant hydrolysis precipitates. The optimal pH conditions for hydrolysis precipitates formation for AlCl(3), PAC(Al13) and PA...
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To increase Pt utilization for oxygen reduction reaction (ORR) in fuel cells, reducing particle sizes of Pt is a valid way. However, poisoning or surface oxidation limits the smallest size of Pt particles at 2.6 nm with a low utility of 20%. Here, using density functional theory calculations, we develop a core-shell Al13@Pt42 cluster as a catalyst for ORR. Benefit from alloying with Al in this ...
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A hybrid surfactant/polyoxometalate compound was synthesized by combining isopolytungstate anions with the cationic surfactant cetyltrimethylammonium bromide (CTA-Br) to produce a hierarchical compound that we identify as (CTA)7[H2W12O40]Cl·2H2O. At room temperature the compound consisted of hexagonally ordered sheets of Keggin ions, with an intervening gallery containing alkyl-chains of the or...
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The structures and reactivity of fluoridated Keggin-aluminum tridecamers (K-Al13) in aqueous solution were studied using density functional theory (DFT) in order to explore the fluorine substitution process and the influence of F(-) on the chemical behavior of Keggin polynuclear Al species. The structures of fluoridated K-Al13 were optimized with the consideration of both explicit and bulk solv...
متن کاملControlled step-wise isomerization of the Keggin-type Al(13) and determination of the γ-Al(13) structure.
Partial hydrolysis of AlCl3 with Ca(OH)2 and the amino acid glycine enables the selective transformation of the Al13 Keggin structures, outlining the ε → δ → γ isomerization process. Through this, a new γ-Al13 Keggin structure was able to be isolated and characterized through (27)Al NMR and single-crystal XRD.
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2011
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1111243108