Publication details
Ab initio study of surface of nanoparticles Ag and Ni
| Authors | |
|---|---|
| Year of publication | 2016 |
| Type | Article in Proceedings |
| Conference | XVI. Workshop of Physical Chemists and Electrochemists |
| MU Faculty or unit | |
| Citation | |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | Ab initio; surface; stříbro; nikl |
| Attached files | |
| Description | Our research is focused on description of energy contribution of surfaces and morphology of Ag, Ni and Ag-Ni nanoparticles. The first step of our study is to perform ab initio calculations of bulk and surfaces of fcc nonmagnetic Ag and ferromagnetic Ni. Here we present the calculation of surface energy and charge density difference at surfaces with different crystallographic orientations, namely (100), (110) and (111). |
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