@article{461f29532bad479d8870b82bde971f1d,
title = "Ligand effects on surface oxide at RhPd(100) alloy surfaces: A density functional theory calculation study",
abstract = "Density functional theory calculations were applied to a study on ligand effects on a Pd surface oxide formed on RhPd(100) alloy surfaces. It was found that chemical composition of the topmost layer of alloy significantly influences on the electronic structure of the Pd surface oxide. Such interlayer ligand effects are originating from the Rh−O and Pd−O interactions between the topmost layer of alloy and the Pd surface oxide. These effects give rise to substantial changes in binding energies of adsorbates and could change catalytic activity depending on atomic fraction of the Rh−Pd alloy.",
author = "Naoki Shirahata and Ryo Toyoshima and Masaaki Yoshida and Kohei Ueda and Kazuhiko Mase and Mun, {Bongjin Simon} and Hiroshi Kondoh",
note = "Funding Information: This work was supported by of the Grants-in-Aid for Scientific Research from Japan Society for Promotion of Science (No. 26248008). The experiments were performed under the approval of the Photon Factory Program Advisory Committee (PF PAC 2015S2–008). Funding Information: This work was supported by of the Grants-in-Aid for Scientific Research from Japan Society [Formula presented][Formula presented] r Promotion of Science (No. 26248008). The experiments were performed under the approval of the Photon Factory Program Advisory Committee (PF PAC 2015S2–008). Publisher Copyright: {\textcopyright} 2021 Elsevier B.V.",
year = "2022",
month = feb,
doi = "10.1016/j.susc.2021.121958",
language = "English",
volume = "716",
journal = "Surface Science",
issn = "0039-6028",
publisher = "Elsevier",
}