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DOI: 10.1039/C5CP90107C (Correction) Phys. Chem. Chem. Phys., 2015, 17, 28407-28407

Correction: Study of structures and thermodynamics of CuNi nanoalloys using a new DFT-fitted atomistic potential

Emanuele Panizon a, Jimena A. Olmos-Asar b, Maria Peressi b and Riccardo Ferrando *c
aPhysics Department, University of Genoa, Via Dodecaneso 33, 16146, Genoa, Italy
bDepartment of Physics, University of Trieste, Strada Costiera 11, 34151 Trieste, Italy
cPhysics Department, University of Genoa and CNR-IMEM, Via Dodecaneso 33, 16146, Genoa, Italy. E-mail: ferrando@fisica.unige.it

Received 15th June 2015 , Accepted 15th June 2015

First published on 19th June 2015

Abstract

Correction for ‘Study of structures and thermodynamics of CuNi nanoalloys using a new DFT-fitted atomistic potential’ by Emanuele Panizon et al., Phys. Chem. Chem. Phys., 2015, DOI: 10.1039/c5cp00215j.

In the published version of the article, there are a couple of errors in Table 1. The corrected version can be found below:
Table 1 Bulk values for Cu and Ni obtained with DFT simulations and parameter sets of the potential. a is the lattice parameter, Ec is the cohesive energy per atom, B is the bulk modulus and ΔEhcp–fcc is the difference in binding energy per atom between hcp and fcc bulk phases
  a (Å) E c (eV) B (GPa) ΔEhcp–fcc (eV)
Cu 3.649 −3.429 138.7 0.011
Ni 3.518 −4.931 206.6 0.031
  p q A (eV) ξ (eV)
Cu–Cu 10.653 2.49 0.092585 1.2437
Ni–Ni 11.7 2.045 0.096444 1.6111
Cu–Ni 11.1765 2.2675 0.1046 1.4453
E s Cu-impurity in Ni bulk 0.194 eV
E s Ni-impurity in Cu bulk 0.113 eV

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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