Multi-Technique Characterization of Rhodium Gem-Dicarbonyls on TiO$_2$(110)
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| Main Authors: | , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866913913709264896 |
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| author | Eder, Moritz Lewis, Faith J. Hütner, Johanna I. Sombut, Panukorn Hao, Maosheng Rath, David Balajka, Jan Wagner, Margareta Meier, Matthias Franchini, Cesare Diebold, Ulrike Schmid, Michael Libisch, Florian Pavelec, Jiří Parkinson, Gareth S. |
| author_facet | Eder, Moritz Lewis, Faith J. Hütner, Johanna I. Sombut, Panukorn Hao, Maosheng Rath, David Balajka, Jan Wagner, Margareta Meier, Matthias Franchini, Cesare Diebold, Ulrike Schmid, Michael Libisch, Florian Pavelec, Jiří Parkinson, Gareth S. |
| contents | Gem-dicarbonyls of transition metals supported on metal (oxide) surfaces are common intermediates in heterogeneous catalysis. While infrared (IR) spectroscopy is a standard tool for detecting these species on applied catalysts, the ill-defined crystallographic environment of species observed on powder catalysts renders data interpretation challenging. In this work, we apply a multi-technique surface science approach to investigate rhodium gem-dicarbonyls on a single-crystalline rutile TiO$_2$(110) surface. We combine spectroscopy, scanning probe microscopy, and Density Functional Theory (DFT) to determine their location and coordination on the surface. IR spectroscopy shows the successful creation of gem-dicarbonyls on a titania single crystal by exposing deposited Rh atoms to CO gas, followed by annealing to 200-250 K. Low-temperature scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM) data reveal that these complexes are mostly aligned along the [001] crystallographic direction, corroborating theoretical predictions. Notably, x-ray photoelectron spectroscopy (XPS) data reveal multiple rhodium species on the surface, even when the IR spectra show only the signature of rhodium gem-dicarbonyls. As such, our results highlight the complex behavior of carbonyls on metal oxide surfaces, and demonstrate the necessity of multi-technique approaches for the adequate characterization of single-atom catalysts. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2506_21068 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Multi-Technique Characterization of Rhodium Gem-Dicarbonyls on TiO$_2$(110) Eder, Moritz Lewis, Faith J. Hütner, Johanna I. Sombut, Panukorn Hao, Maosheng Rath, David Balajka, Jan Wagner, Margareta Meier, Matthias Franchini, Cesare Diebold, Ulrike Schmid, Michael Libisch, Florian Pavelec, Jiří Parkinson, Gareth S. Chemical Physics Materials Science Gem-dicarbonyls of transition metals supported on metal (oxide) surfaces are common intermediates in heterogeneous catalysis. While infrared (IR) spectroscopy is a standard tool for detecting these species on applied catalysts, the ill-defined crystallographic environment of species observed on powder catalysts renders data interpretation challenging. In this work, we apply a multi-technique surface science approach to investigate rhodium gem-dicarbonyls on a single-crystalline rutile TiO$_2$(110) surface. We combine spectroscopy, scanning probe microscopy, and Density Functional Theory (DFT) to determine their location and coordination on the surface. IR spectroscopy shows the successful creation of gem-dicarbonyls on a titania single crystal by exposing deposited Rh atoms to CO gas, followed by annealing to 200-250 K. Low-temperature scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM) data reveal that these complexes are mostly aligned along the [001] crystallographic direction, corroborating theoretical predictions. Notably, x-ray photoelectron spectroscopy (XPS) data reveal multiple rhodium species on the surface, even when the IR spectra show only the signature of rhodium gem-dicarbonyls. As such, our results highlight the complex behavior of carbonyls on metal oxide surfaces, and demonstrate the necessity of multi-technique approaches for the adequate characterization of single-atom catalysts. |
| title | Multi-Technique Characterization of Rhodium Gem-Dicarbonyls on TiO$_2$(110) |
| topic | Chemical Physics Materials Science |
| url | https://arxiv.org/abs/2506.21068 |