First-principles prediction of the equilibrium shape of nanoparticles under realistic electrochemical conditions

Physical Review Letters

Volumn 110, Issue 8, 2013, Pages

  Bonnet, Nicéphore ^a   Marzari, Nicola ^b  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINE MEDIA; APPLIED POTENTIALS; CATHODIC SCAN; DOUBLE LAYERS; ELECTROCHEMICAL CONDITIONS; ELECTRONIC CHARGES; EQUILIBRIUM SHAPE; FIRST-PRINCIPLES MODEL; HYDROGEN UNDER-POTENTIAL DEPOSITION; INTERACTION ENERGIES; PH-DEPENDENT; PT NANOPARTICLES; SURFACE COVERAGES; SURFACE DIPOLE; TOTAL ENERGY CALCULATION;

ALKALINITY; INTERFACIAL ENERGY; NANOPARTICLES; PLATINUM;

CALCULATIONS;

EID: 84874142093     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.110.086104     Document Type: Article

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