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17 June 2009 Study of single structure of Con (n=6, 8, 10, 12, 14,16,18) nanoparticles
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Abstract
Electronic and geometrical structures of Con (n=6, 8, 9, 10, 12, 14) particles have been studied using both the density functional theory and Hartree-Fock calculations. Structural and electronic differences to the corresponding clusters are presented. We have tried to recognize which structure (fcc or bcc) is more preferable for these particles. A four-fold and higher coordination of the Co atoms was found to be the particularly preferable coordination environment in small Con species. The key element of the Co particle is alsosuggested.
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Jelena Tamulienė, Goncal Badenes, Rimas Vaišnoras, Mindaugas L. Balevičius, and Loreta Rasteniene "Study of single structure of Con (n=6, 8, 10, 12, 14,16,18) nanoparticles", Proc. SPIE 7377, Twelfth International Workshop on Nanodesign Technology and Computer Simulations, 737709 (17 June 2009); https://doi.org/10.1117/12.836438
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