Computational Studies of Palladium Nanoclusters

Computational Studies of Palladium Nanoclusters

Computational Studies of Bare and Zeolite Supported Palladium Nanoclusters

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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-mon...