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The controlled growth promoted by the use of ligands can affect the structural properties of nanoparticles, preferential growth and most likely exposed facets in their final shape. The chemistry is deeply dominated by the close relationship between both the interaction of the ligands and the metal structure. In the present work, we have illustrated the change in the nanoparticle shape as a function...
Over the past decades, the theoretical aspects of heterogeneous catalysis have grown in importance in this field with high industrial and societal implications. The present review is devoted to the increased complexity in the theoretical models employed in atomistic simulations. To this end, we describe the state-of-the-art studies of complex materials relevant for gas storage. After crystal complexity,...
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