Conor Hogan
@HoganConor
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Researcher at CNR-ISM, Rome. Computational materials science, surface physics/chemistry, 2D, yambo
Rome, Italy
Joined March 2011
RT @CNR_ISM: The structure of the Si/Ag(001)-(3x3) surface has been unveiled w/ high-res STM and DFT, SXRD and ARPES simulations: a structu….
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RT @LucaCamilli3: So happy to see that our STM data have been highlighted as Results of the Month by @scienta_omicron .Thanks again to all….
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Nearly forgot - some of the Rome-based authors celebrating the article publication over a fine lunch! We selected a vino rosato because chalcogens are slightly pink, apparently
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In particular, the reduced density gradient maps (QE + critic2) beautifully illustrate the noncovalent interaction between the chalcogen and N atoms. even when adsorbed on the surface. Here, the blue surface indicates the attractive Ch-bonding interaction.
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Sadly, none were available. We cautiously entered the portal marked "non-covalent bonding interactions" and discovered wonderful but scary things like MEP, RDG, AIM, NCI, EDA, and other TLAs (three letter acronyms). Apparently the blue bits stick to the red bits.
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While the chalcogen atom (Ch=Te,Se) adsorbs atop a Au atom, the key element binding the monomers is a double Ch-N interaction. It's weaker than in gas phase, ~0.2 eV, but still strong enough to drive self assembly. To understand better, we need the help of quantum chemists!
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High-res and "bond resolved" STM reveal the atomic structure of the dimers. Myself (@CNR_ISM) and Maurizia Palummo (@MatSciUniToV) carried out DFT calculations with @QuantumESPRESSO and confirmed the geometry. But what's holding the two pieces together?
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We took chalcogenazolo (Te,Se) pyridene derivatives synthesized by @Bonifazigroup @debbyus94 and deposited them on Au(111) at @fisicaunitov by @LucaCamilli3 @Luca62353940. The outcome looks suspiciously like a piece of mouldy chicken I found in my fridge last week
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Out in JACS Au: On-Surface Molecular Recognition Driven by Chalcogen Bonding. Fruit of an excellent collaboration in which we demonstrate that molecular dimers formed on a Au surface (hence journal choice) are bound together solely by chalcogen bonding!
pubs.acs.org
Chalcogen bonding interactions (ChBIs) have been widely employed to create ordered noncovalent assemblies in solids and liquids. Yet, their ability to engineer molecular self-assembly on surfaces has...
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RT @MikeBenchCapon: The weird thing about The Simpsons is that while the average quality of the jokes has decreased over time, the average….
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RT @dvdfu: I was making a grilled cheese so I turned on text to speech to read this article. Please listen to this part .
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RT @iam_chonchol: This is pure gold 🤯. $12,880 worth of Storytelling Degree in just 5 minutes. Just watch this video. Kurt Vonnegut explai….
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Spain has sherry. Portugal has port. France has wine. Germany and Belgium have beer. England has gin. Ireland and Scotland have whisky. Italy has… limoncello? Bit underwhelming, no?.
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RT @CNR_ISM: New in @angew_chem: N-Heterocyclic olefins (NHOs) form ordered monolayers on silicon!.A collaboration between @HoganConor (@CN….
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My slow transformation into a computational chemist continues. .
New kid on the block: NHOs (N-heterocyclic olefins) strongly bind to surfaces! Move over, NHC. Wonderful collaboration of Martin Franz/Mario Daehne, Norbert Esser, @HoganConor and @GloriusGroup, just published in @angew_chem 🚀😀.
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Proud to be part of this exciting new project!.
È al via #ATYPICAL - Atomically precise multifunctional single #atom platforms, progetto di @CNR_ISM del @CNRsocial_ in collaborazione con @unitorvergata finanziato da #MUR con #PRIN2022. #Onsurface_synthesis #materials.
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Proud to be part of this work!.
An international team of researchers led by @CNR_ISM has synthesized a #topological #antimonene layer with giant out-of-plane spin polarization opening new perspectives for #spintronics. A new paper on @NanoLetters.
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