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In-Plane Hydrogen B...
In-Plane Hydrogen Bonds and Out-of-Plane Dipolar Interactions in Self-Assembled Melem Networks
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- Ugolotti, Aldo (author)
- Univ Milano Bicocca, Dept Mat Sci, I-20125 Milan, Italy.
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- Lanzilotto, Valeria (author)
- Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.;Sapienza Univ Roma, Dipartimento Chim, I-00185 Rome, Italy.;Univ Trieste, Dipartimento Sci Chim & Farmaceut, Via Licio Giorgieri 1, I-34127 Trieste, Italy.
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- Grazioli, Cesare (author)
- Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.
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- Floreano, Luca (author)
- Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.;Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.
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- Manuel Zamalloa-Serrano, Jorge (author)
- Inst Ciencia Mat Madrid ICMM CSIC, ESISNA Grp, Madrid 28049, Spain.
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- Stredansky, Matus (author)
- Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.;Univ Trieste, Dept Phys, I-34127 Trieste, Italy.
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- Zhang, Teng, 1988- (author)
- Uppsala universitet,Institutionen för fysik och astronomi,Beijing Inst Technol BIT, Sch Integrated Circuits & Elect, MIIT Key Lab Lowdimens Quantum Struct & Devices, Beijing 100081, Peoples R China.
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- de Simone, Monica (author)
- Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.
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- Ferraro, Lorenzo (author)
- Univ Milano Bicocca, Dept Mat Sci, I-20125 Milan, Italy.
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- Coreno, Marcello (author)
- Ist Struttura Mat, ISM CNR, I-34149 Trieste, Italy.
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- Puglia, Carla (author)
- Uppsala universitet,Energimaterialens fysik
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- Di Valentin, Cristiana (author)
- Univ Milano Bicocca, Dept Mat Sci, I-20125 Milan, Italy.
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Univ Milano Bicocca, Dept Mat Sci, I-20125 Milan, Italy Ist Off Mat, IOM CNR, I-34149 Trieste, Italy.;Sapienza Univ Roma, Dipartimento Chim, I-00185 Rome, Italy.;Univ Trieste, Dipartimento Sci Chim & Farmaceut, Via Licio Giorgieri 1, I-34127 Trieste, Italy. (creator_code:org_t)
- American Chemical Society (ACS), 2023
- 2023
- English.
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In: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 127:23, s. 11307-11316
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- Melem(2,6,10-triamino-s-heptazine) is the building block of melon,a carbon nitride (CN) polymer that is proven to produce H-2 from water under visible illumination. With the aim of bringingadditional insight into the electronic structure of CN materials,we performed a spectroscopic characterization of gas-phase melem andof a melem-based self-assembled 2D H-bonded layer on Au(111) by meansof ultraviolet and X-ray photoemission spectroscopy (UPS, XPS) andnear-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Inparallel, we performed density functional theory (DFT) simulationsof the same systems to unravel the molecular charge density redistributioncaused by the in-plane H-bonds. Comparing the experimental resultswith the spectroscopic DFT simulations, we can correlate the inducedcharge accumulation on the N-amino atoms to the red-shiftof the corresponding N 1s binding energy (BE) and of the N-amino 1s -> LUMO+n transitions. Moreover, when introducing a supportingAu(111) surface in the computational simulations, we observe a molecule-substrateinteraction that almost exclusively involves the out-of-plane molecularorbitals, leaving those engaged in the in-plane H-bonded network ratherunperturbed.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Ugolotti, Aldo
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Lanzilotto, Vale ...
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Grazioli, Cesare
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Floreano, Luca
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Manuel Zamalloa- ...
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Stredansky, Matu ...
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show more...
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Zhang, Teng, 198 ...
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de Simone, Monic ...
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Ferraro, Lorenzo
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Coreno, Marcello
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Puglia, Carla
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Di Valentin, Cri ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
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The Journal of P ...
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Uppsala University