SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 14: Poster Session I: Nanostructures at surfaces I
O 14.7: Poster
Montag, 1. März 2021, 10:30–12:30, P
Completing the Picture of Embryonic Oxidation on Copper — •Yun-Jae Lee1, Trinh Thi Ly2, Taehun Lee1, Krisztián Palotás3, Se Young Jeong4, Jungdae Kim2, and Aloysius Soon1 — 1Department of Materials Science & Engineering and Center for Artificial Synesthesia Materials Discovery, Yonsei University, Seoul 03722, Republic of Korea — 2Department of Physics, and EHSRC, University of Ulsan, Ulsan 44610, Republic of Korea — 3Institute for Solid State Physics and Optics, Wigner Research Center for Physics, 1525 Budapest, Hungary — 4Department of Optics and Mechatronics Engineering, Pusan National University, Busan 46241, Republic of Korea
The oxidation of copper surfaces has been studied extensively in the literature – from simple oxygen chemisorption to the formation of complex surface oxides. Having an accurate atomistic model for this metal/oxide interface plays a pivotal role in determining interfacial processes in many copper-based technologies. The “29” and “44” complex surface oxides represent two of the most classical embryonic oxides on Cu(111). Although many attempts have been made to offer a detailed atomistic model of these surface oxides, their atomic structures remain ambiguous. In this work, we address this open question via ab initio scanning tunneling microscopy simulations that go beyond the simplistic Tersoff-Hamann approach where the (functionalized) metal tips are explicitly included, and are corroborated by high-resolution STM experiments. In particular, we reexamine the “29” structure and elucidate a complete atomistic model for the “44” structure.