First-Principles Prediction of the Equilibrium Shape of Nanoparticles Under Realistic Electrochemical Conditions

A first-principles model of the electrochemical double layer is applied to study surface energies and surface coverage under realistic electrochemical conditions and to determine the equilibrium shape of metal nanoparticles as a function of applied potential. The potential bias is directly controlle...

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Bibliographic Details
Main Authors: Bonnet, Nicephore, Marzari, Nicola
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2013
Online Access:http://hdl.handle.net/1721.1/78289