dorsal/arxiv
View SchemaOptical absorption by magnesia-supported gold clusters and nanocatalysts: effects from the support, cluster and adsorbants
| Authors | Michael Walter, Hannu Häkkinen |
|---|---|
| Categories | |
| ArXiv ID | physics/0506121 |
| URL | https://arxiv.org/abs/physics/0506121 |
| DOI | 10.1103/PhysRevB.72.205440 |
Abstract
Polarization-resolved optical spectra of magnesia-supported gold clusters Au$_N$/MgO (N=1,2,4,8), bound at a surface color center $F_s$ of the MgO(100) face, are calculated from the time-dependent density functional theory. The optical lines for n=1,2 are dominated by transitions that involve strong hybridization between gold and $F_s$ states whereas for n=4,8 intracluster transitions dominate. The theoretical optical spectra are sensitive to cluster structure and adsorbants (here CO and O$_2$ molecules on Au$_8$/MgO) which suggests polarization-resolved optical spectroscopy as a powerful tool to investigate structures and functions of chemically active, supported clusters.
{
"annotation_id": "2ce51320-c5b1-4340-9de3-fcb980d5a6f3",
"date_created": "2026-03-02T18:01:00.756000Z",
"date_modified": "2026-03-02T18:01:00.756000Z",
"file_hash": "7b0370a89387e4d5a7723314bfc26db6c275871f1be0e5db58f4a753b298a6ec",
"private": false,
"record": {
"abstract": "Polarization-resolved optical spectra of magnesia-supported gold clusters\nAu$_N$/MgO (N=1,2,4,8), bound at a surface color center $F_s$ of the MgO(100)\nface, are calculated from the time-dependent density functional theory. The\noptical lines for n=1,2 are dominated by transitions that involve strong\nhybridization between gold and $F_s$ states whereas for n=4,8 intracluster\ntransitions dominate. The theoretical optical spectra are sensitive to cluster\nstructure and adsorbants (here CO and O$_2$ molecules on Au$_8$/MgO) which\nsuggests polarization-resolved optical spectroscopy as a powerful tool to\ninvestigate structures and functions of chemically active, supported clusters.",
"arxiv_id": "physics/0506121",
"authors": [
"Michael Walter",
"Hannu H\u00e4kkinen"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1103/PhysRevB.72.205440",
"title": "Optical absorption by magnesia-supported gold clusters and nanocatalysts: effects from the support, cluster and adsorbants",
"url": "https://arxiv.org/abs/physics/0506121"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "de08f996-64cd-4a9a-9ba0-636789c2f5e2",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}