Methods for describing the reactivity of transition metal nanoparticles
Using modern calculations from first principles, in this work we systematically studied the adsorption of atomic oxygen on the surface of nanoparticles of fcc metals Ag, Cu, Pd consisting of 79 atoms. Two models were considered to describe the reactivity of transition metals based on the d-band cent...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | Russian |
| Published: |
Tver State University
2022-12-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | https://physchemaspects.ru/2022/doi-10-26456-pcascnn-2022-14-292/?lang=en |