We performed first principles density functional calculations and simulations of magic-size neutral NaCl nanocubes, and computed the extraction of a Na neutral corner atom after donating an electron. The atomic structure of the resulting Na corner vacancy is presented. (c) 2006 Elsevier B.V. All rights reserved.
Electron-stimulated emission of Na atoms from NaCl nanocube corners
Ceresoli D;Tosatti E
2006
Abstract
We performed first principles density functional calculations and simulations of magic-size neutral NaCl nanocubes, and computed the extraction of a Na neutral corner atom after donating an electron. The atomic structure of the resulting Na corner vacancy is presented. (c) 2006 Elsevier B.V. All rights reserved.File in questo prodotto:
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