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Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces
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Chaudhuri, Shayantan, Hall, Samuel J., Klein, Benedikt P., Walker, Marc, Logsdail, Andrew J., Macpherson, Julie V. and Maurer, Reinhard J. (2022) Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces. Communications Materials, 3 (1). 6. doi:10.1038/s43246-022-00228-4 ISSN 2662-4443.
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WRAP-Coexistence-carbonyl-ether-oxygen-terminated-110-oriented-diamond-surfaces-2022.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (2372Kb) | Preview |
Official URL: https://doi.org/10.1038/s43246-022-00228-4
Abstract
Diamond-based materials have unique properties that are exploited in many electrochemical, optical, thermal, and quantum applications. When grown via chemical vapor deposition (CVD), the growth rate of the (110) face is typically much faster than the other two dominant crystallographic orientations, (111) and (100). As such, achieving sufficiently large-area and high-quality (110)-oriented crystals is challenging and typically requires post-growth processing of the surface. Whilst CVD growth confers hydrogen terminations on the diamond surface, the majority of post-growth processing procedures render the surface oxygen-terminated, which in turn impacts the surface properties of the material. Here, we determine the oxygenation state of the (110) surface using a combination of density functional theory calculations and X-ray photoelectron spectroscopy experiments. We show that in the 0–1000 K temperature range, the phase diagram of the (110) surface is dominated by a highly stable phase of coexisting and adjacent carbonyl and ether groups, while the stability of peroxide groups increases at low temperatures and high pressures. We propose a mechanism for the formation of the hybrid carbonyl-ether phase and rationalize its high stability. We further corroborate our findings by comparing simulated core-level binding energies with experimental X-ray photoelectron spectroscopy data on the highest-quality (110)-oriented diamond crystal surface reported to date.
| Item Type: | Journal Article | |||||||||||||||||||||||||||
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| Subjects: | Q Science > QD Chemistry Q Science > QE Geology T Technology > TS Manufactures |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics Faculty of Science, Engineering and Medicine > Science > Chemistry > Computational and Theoretical Chemistry Centre |
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| SWORD Depositor: | Library Publications Router | |||||||||||||||||||||||||||
| Library of Congress Subject Headings (LCSH): | Diamonds -- Electric properties, Diamonds -- Thermal conductivity, Nanostructured materials, Electrochemistry -- Materials, Carbon, Ether , Chemical vapor deposition | |||||||||||||||||||||||||||
| Journal or Publication Title: | Communications Materials | |||||||||||||||||||||||||||
| Publisher: | Nature Publishing Group UK | |||||||||||||||||||||||||||
| ISSN: | 2662-4443 | |||||||||||||||||||||||||||
| Official Date: | 28 January 2022 | |||||||||||||||||||||||||||
| Dates: |
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| Volume: | 3 | |||||||||||||||||||||||||||
| Number: | 1 | |||||||||||||||||||||||||||
| Article Number: | 6 | |||||||||||||||||||||||||||
| DOI: | 10.1038/s43246-022-00228-4 | |||||||||||||||||||||||||||
| Status: | Peer Reviewed | |||||||||||||||||||||||||||
| Publication Status: | Published | |||||||||||||||||||||||||||
| Reuse Statement (publisher, data, author rights): | ** From Springer Nature via Jisc Publications Router ** History: received 01-06-2021; accepted 10-01-2022; registration 12-01-2022; pub-electronic 28-01-2022; online 28-01-2022; collection 12-2022. ** Licence for this article: http://creativecommons.org/licenses/by/4.0/ | |||||||||||||||||||||||||||
| Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||||||||
| Date of first compliant deposit: | 21 March 2022 | |||||||||||||||||||||||||||
| Date of first compliant Open Access: | 21 March 2022 | |||||||||||||||||||||||||||
| RIOXX Funder/Project Grant: |
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