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Nanoalloy electrocatalysis: simulating cyclic voltammetry from configurational thermodynamics with adsorbates

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Phys. Chem. Chem. Phys., 2015, 17,28103-28111
DOI: 10.1039/C5CP00394F, Paper
Lin-Lin Wang, Teck L. Tan, Duane D. Johnson
Simulated 2-dimensional cyclic voltammetry for nanoalloys with a hybrid ensemble scheme in Monte Carlo simulation based on the cluster expansion method.
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