Berlin 2024 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 9: Semiconductor Substrates I: Adsorption of Small Molecules, Metallic Nanowires, Overlayers
O 9.4: Vortrag
Montag, 18. März 2024, 11:15–11:30, MA 144
The impact of adatom adsorption on the interfacial structure of InP(001) — •Vibhav Yadav1,2, Margot Guidat1,2, Mario Löw2, Jognmin Kim1,2, Holger Euchner1, and Matthias May1,2 — 1Institute of Physical and Theoretical Chemistry, Universität Tübingen, — 2Institute of Theoretical Chemistry, Universität Ulm, Germany
Controlling the electrochemical interface of III-V semiconductors such as InP is of great relevance for hydrogen production in Photoelectrochemical water-splitting devices [1]. Here, reducing corrosion, while at the same time maintaining efficient charge transfer, remains challenging and requires an atomistic understanding of the InP(001) surface in an electrochemical environment. While InP(001) is known to exhibit different surface reconstructions, depending on the exact synthesis conditions, the presence of oxygen strongly affects the surface structure.
In this work, we apply Density Functional Theory to investigate the thermodynamic stability of the different reconstructions pertaining to adatom exposure such as oxygen, finally resulting in an extended surface phase diagram. Furthermore, we show that combining computational and experimental Reflection Anisotropy Spectroscopy has the potential to provide a better understanding of InP surfaces/interfaces and their (electronic) structure under operation conditions[2].
[1] : May MM; Lewerenz HJ; Lackner D; Dimroth F; Hannappel T. In: Nat Commun 6.1 (Sept. 15, 2015), p. 8286
[2] :Löw, M.; Guidat, M.; Kim, J.; May, M. M. RSC Adv. 2022, 12 (50), 32756*32764
Keywords: Adsorption; Phase transition; Reflection anisotropy spectroscopy; Indium Phosphide