[9p-A22-1~12] 13.1 Fundamental properties, surface and interface, and simulations of Si related materials

2:45 PM - 3:00 PM JST(5:45 AM - 6:00 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[9p-A22-4] Elucidation of Ag adsorption mechanism for silver nanowire formation on Si(111) surfaces using first-principles calculations

〇Hana Kyoda¹, As Zahrah Fitriana Syafira¹, Kenta Arima¹, Kouji Inagaki¹ (1.UOsaka)

Keywords:

silver nanowire,first-principles calculations,formation energy

Ag nanowires, which are one-dimensional metallic nanostructures, possess high electrical and thermal conductivity and are attracting attention as materials for nanowiring. We aim to form Ag nanowires on a Si(111) surface with a step/terrace structure. In this report, we present the results of our analysis of the Ag adsorption structure using first-principles calculations and our evaluation of its thermodynamic stability based on formation energies that take into account chemical potential and electron transfer.