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Tailoring surface-supported water-melamine complexes by cooperative H-bonding interactions
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- Lanzilotto, Valeria (author)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik,Sapienza Univ Rome, Dept Chem, Ple Aldo Moro 8, I-00185 Rome, Italy.;CNR, Ist Officina Mat, IOM, Basovizza SS 14,Km 163-5, I-34149 Trieste, Italy.
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- Grazioli, Cesare (author)
- CNR, Ist Officina Mat, IOM, Basovizza SS 14,Km 163-5, I-34149 Trieste, Italy.
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- Stredansky, Matus (author)
- CNR, Ist Officina Mat, IOM, Basovizza SS 14,Km 163-5, I-34149 Trieste, Italy.;Univ Trieste, Dept Phys, Via A Valeria 2, I-34127 Trieste, Italy.;Beijing Inst Technol BIT, Sch Informat & Elect, MIIT Key Lab Low Dimens Quantum Struct & Devices, Beijing 100081, Peoples R China.
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- 2021
- 2021
- English.
- In: Nanoscale Advances. - : Royal Society of Chemistry. - 2516-0230. ; 3:8, s. 2359-2365
- Journal article (peer-reviewed)
Abstract
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- The water-splitting photo-catalysis by carbon nitride heterocycles has been the subject of recent theoretical investigations, revealing a proton-coupled electron transfer (PCET) reaction from the H-bonded water molecule to the CN-heterocycle. In this context, a detailed characterization of the water-catalyst binding configuration becomes mandatory in order to validate and possibly improve the theoretical modeling. To this aim, we built a well-defined surface-supported water/catalyst interface by adsorbing water under ultra-high vacuum (UHV) conditions on a monolayer of melamine grown on the Cu(111) surface. By combining X-ray photoemission (XPS) and absorption (NEXAFS) spectroscopy we observed that melamine adsorbed onto copper is strongly tilted off the surface, with one amino group dangling to the vacuum side. The binding energy (BE) of the corresponding N 1s component is significantly higher compared to other N 1s contributions and displays a clear shift to lower BE as water is adsorbed. This finding along with density functional theory (DFT) results reveals that two adjacent melamine molecules concurrently work for stabilizing the H-bonded water-catalyst complex: one melamine acting as a H-donor via the amino-N (NHMIDLINE HORIZONTAL ELLIPSISOHH) and another one as a H-acceptor via the triazine-N (C = NMIDLINE HORIZONTAL ELLIPSISHOH).
Subject headings
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
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