Computational Studies of Palladium Nanoclusters: Computational Studies of Bare and Zeolite Supported Palladium Nanoclusters - Couverture souple

Kalita, Bulumoni; Ch. Deka, Ramesh

 
9783844324808: Computational Studies of Palladium Nanoclusters: Computational Studies of Bare and Zeolite Supported Palladium Nanoclusters
Couverture souple
ISBN 10 : 3844324801 ISBN 13 : 9783844324808
Editeur : LAP LAMBERT Academic Publishing, 2011

Synopsis

Understanding the fundamental properties of metal nanoclusters is a major challenge for researchers and has been a subject of many investigations. Theoretical modeling is an indispensable tool for elucidating the characteristics at nanoscale. In this fascinating text, the authors provide some interesting findings of their Density Functional Theory (DFT) based investigations on small palladium clusters along with a brief review of the experimental and theoretical aspects of the field - an important and relevant area in catalytic science. Small gas phase palladium clusters exhibit highly non-monotonic size and charge dependent structural and electronic properties and the four atom palladium cluster is the most stable cluster among the series of clusters studied. Neutral and cationic Pd4 clusters show higher catalytic activity towards CO oxidation than that of anionic Pd4 cluster. The "reverse hydrogen spillover" phenomenon is observed from the support to the metal in zeolite supported palladium systems. This book will be helpful for researchers in designing suitable catalyst based on palladium tuning their size and charge states.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Understanding the fundamental properties of metal nanoclusters is a major challenge for researchers and has been a subject of many investigations. Theoretical modeling is an indispensable tool for elucidating the characteristics at nanoscale. In this fascinating text, the authors provide some interesting findings of their Density Functional Theory (DFT) based investigations on small palladium clusters along with a brief review of the experimental and theoretical aspects of the field - an important and relevant area in catalytic science. Small gas phase palladium clusters exhibit highly non-monotonic size and charge dependent structural and electronic properties and the four atom palladium cluster is the most stable cluster among the series of clusters studied. Neutral and cationic Pd4 clusters show higher catalytic activity towards CO oxidation than that of anionic Pd4 cluster. The "reverse hydrogen spillover" phenomenon is observed from the support to the metal in zeolite supported palladium systems. This book will be helpful for researchers in designing suitable catalyst based on palladium tuning their size and charge states.

Biographie de l'auteur

Dr. Kalita has recently defended her Ph. D. thesis on theoretical study of Pd clusters from Tezpur University, Assam, India. Prof. Deka, Ph. D. from NCL Pune, did his post-doctoral research at Tokyo University before joining TU in 2001. He is also an AvH fellow. His research interests are molecular modelling and catalysis.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2011
Langue
anglais
ISBN 10 
3844324801
ISBN 13 
9783844324808
Reliure
Broché
Nombre de pages
168
Coordonnées du fabricant
non disponible
Personne responsable
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