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Galliez, K., Deniard, P., Payen, C., Lambertin, D., Bart, F., Koo, H.-J., Whangbo, M.-H. & Jobic, S. (2015) Pair Distribution Function and Density Functional Theory Analyses of Hydrogen Trapping by gamma-MnO2. Inorg. Chem. 54 1194–1196. 
Added by: Laurent Cournède (2016-03-10 18:36:42)
Type de référence: Article
DOI: 10.1021/ic5026334
Numéro d'identification (ISBN etc.): 0020-1669
Clé BibTeX: Galliez2015
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Catégories: MIOPS
Mots-clés: absorber, battery applications, catalyst, Lithium batteries, manganese-dioxide, mno2, oxidation, oxide, silver, supercapacitors
Créateurs: Bart, Deniard, Galliez, Jobic, Koo, Lambertin, Payen, Whangbo
Collection: Inorg. Chem.
Consultations : 3/482
Indice de consultation : 2%
Indice de popularité : 0.5%
Résumé     
In the presence of Ag2O as a promoter, gamma-MnO2 traps dihydrogen in its (2 x 1) and (1 x 1) tunnels. The course of this reaction was examined by analyzing the x-ray diffraction patterns of the HxMnO(2)/Ag2O system (0 {<}= x {<} 1) on the basis of pair distribution function and density functional theory (DFT) analyses. Hydrogen trapping occurs preferentially in the (2 x 1) tunnels of gamma-MnO2, which is then followed by that in the (1 x 1) tunnels. Our DFT analysis shows that this process is thermodynamically favorable.
Added by: Laurent Cournède  
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