PalmaLab

Here‘s also some #STM scientists to follow! go.bsky.app/LKyQJm7

*apparent height in a scanning tennisball microscope #STM #SurfaceScience #CondensedMatter xkcd!

Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon Aromaticity is typically regarded as an intrinsic property of a molecule, correlated with electron delocalization, stability, and other properties. Small variations in the molecular geometry usually result in small changes in aromaticity, in line with Hammond’s postulate. For example, introducing bond-length alternation in benzene and square cyclobutadiene by modulating the geometry along the Kekulé vibration gradually decreases the magnitude of their ring currents, making them less aromatic and less antiaromatic, respectively. A sign change in the ring current, corresponding to a reversal of aromaticity, typically requires a gross perturbation such as electronic excitation, addition or removal of two electrons, or a dramatic change in the molecular geometry. Here, we use multireference calculations to show how movement along the Kekulé vibration, which controls bond-length alternation, induces a sudden reversal in the ring current of cyclo[16]carbon, C16. This reversal occurs when the two orthogonal π systems of C16 sustain opposing currents. These results are rationalized by a Hückel model which includes bond-length alternation, and which is combined with a minimal model accounting for orbital contributions to the ring current. Finally, we successfully describe the electronic structure of C16 with a “divide-and-conquer” approach suitable for execution on a quantum computer.

There‘s also the role of vibrations, pubs.acs.org/doi/10.1021/... ~CDW

www.materialscloud.org/explore/conn...

atomly.net#/

+ www.cryst.ehu.es + Atomly.net

NOMAD is also experimental, it might not be obvious since our NeXus search/submenu is on the way 🙃 cc
@fairmat.bsky.social

In science the former might be considered more professional? "I am running 7 min late“ accurate, succinct, specific, honest? ✅ "Unf. my faculties were overtaken…" incompetence, vagueness, pot. misleading? ❌

Building spin-1/2 antiferromagnetic Heisenberg chains with diaza-nanographenes - Nature Synthesis Graphene nanostructures with π magnetism offer a chemically tunable platform to explore correlated magnetic interactions. Here, the on-surface synthesis of spin-1/2 antiferromagnetic Heisenberg chains...

Now online:

Article by X Fu, L Huang, K Liu, J Ma, J Fernández-Rossier & co-workers

Building spin-1/2 antiferromagnetic Heisenberg chains with diaza-nanographenes

www.nature.com/articles/s44... ($)
#ChemSky

Aufnahmeregistrierungsfehler-ladeschleifepanik

Done! 🎉

If you’re feeling blue
and your ion pump doesn’t run
smash and smash again

We’re close to finding 50 #vacuum surface scientists in #Scisky! Who’s still missing?

#Haikurday

go.bsky.app/LKyQJm7o

On-surface synthesis and characterization of polyynic carbon chains A carbon chain with ∼120 atoms has been synthesized on the surface and characterized by bond-resolved scanning probe microscopy.

There are interesting realizations on surfaces e.g. academic.oup.com/nsr/article/...

A ultra-high vacuum lab featuring a shiny metal chamber with a photoemission electron microscope coupled to a 4 K scanning probe microscopy. The photograph also depicts a monitor which reads "FAIR Automated Surface Lab" and two panels, the lhs panel contains scanning probe spectroscopy and scanning tunneling spectroscopy HDF5 datasets being uploaded in the local lab NOMAD Oasis. The rhs panel is running a temperature measurement protocol for the sample.

Exciting, is there a 🦋 Automation Starter Pack? Our progress at @fairmat.bsky.social from the #on-surface synthesis #UHV side has been focused on #FAIRAutomation: autointerfacing with #NOMAD & #NOMADcamels, defining every 'bolt and nut' in #NeXuS & running LLMs–We hope to achieve autonomy by 2026🤞

A ultra-high vacuum lab featuring a shiny metal chamber with a photoemission electron microscope coupled to a 4 K scanning probe microscopy. The photograph also depicts a monitor which reads "FAIR Automated Surface Lab" and two panels, the lhs panel contains scanning probe spectroscopy and scanning tunneling spectroscopy HDF5 datasets being uploaded in the local lab NOMAD Oasis. The rhs panel is running a temperature measurement protocol for the sample.

Exciting, is there a 🦋 Automation Starter Pack? Our progress at @fairmat.bsky.social from the #on-surface synthesis #UHV side has been focused on #FAIRAutomation: autointerfacing with #NOMAD & #NOMADcamels, defining every 'bolt and nut' in #NeXuS & running LLMs–We hope to achieve autonomy by 2026🤞

A short teaser of our upcoming book preprint #Gestaltungsmetrik with art historian Horst Bredekamp wherein we attempt to define #holonomy in art, to imagine pot. underlying metric spaces. Thank you so much for the collab. on ribbon-based geodesics @alisonmartin57.bsky.social !

In the group we avoid referring to “AI” for this reason, as it’s more of a trademark vs. a technical term. A naive question would be rel. to evidence that the brain does not encode in LLM-like vector spaces, since most of the universe can be so modelled. Disclaimer we still need to read your book :)

Thank you MK, for being an inspiring mentor and supporting my applications. I would've loved to have more opportunities to discuss—alas, time goes by unjustly fast. My condolences, dear Marci and family.

The more spin chains the merrier! 🎉
@manuelmellelab.bsky.social

This, but in the office every >200W PC socket is on backup power—and in the lab there is no backup power for <100W turbo pumps in million-dollar equipments…

Check out @capalma.bsky.social thoughts on our latest piece, and its pot. role in atomic scale phonon circutry, thermodynamic computing and holonomic vibrational computing

The image shows a chain with 21 solid circles representing masses, connected with alternating colored lines symbolizing stiff and soft springs. The diameter of circle no. 10 is larger, and label as "3-fold mass increase". The image attempts to convey that two vibrational phases are defined to either side of the chain, when increasing the mass at a point of such mass-spring chain composed of alternating spring chains realising the 'SSH model'. To the right side, the phase is denoted topological because the corresponding Hamiltonian is classified via a nontrivial topological index. To the left side, the phase is classified with a trivial index. Only in the topological phase, is a longitudinal boundary mode found, which is exponentially localized to the right of the heavy mass, and is represented in the image by a red line indicating the amplitudes of vibrational mode. The red line shows a large amplitude to the right of to the heavy mass, then a small amplitude, then a medium amplitude, then a small amplitude and then a vanishing amplitude centered on the solid circle no. 7 to the right. Left to heavy mass on the trivial vibrational phase side of the chain, only a small amplitude centered on the solid circle no. 2 to the left, is indicated by the red line.

Did you know many polymers and supramolecules can exhibit two distinct vibrational phases of matter? Organic topological vibrational phases manifest boundary modes at heavy boundaries and low temp., at conditions similar to extended SSH models. Simulations out now: www.nature.com/articles/s41...

Prob. there are more than 37 eight-sided features

🫠HU↔️IoP↔️HZB🙋‍♀️

“on #diamond” 🙈

🙌

Yes! Does that mean we get to tag #MBE? that would be a bulky prerogative 🙃

Yes 🙌 more surfaces are welcome here 👋

Updated thanks! & great, let’s try to catch ‘em all @jnknssj.bsky.social @aloysius-soon.bsky.social

We just found 10 surface scientists @🦋 #SciSky 🎉 Help us find more! #UHV #STM #XPS #UPS #ARPES #AFM #ChemPhys #PhySky #ChemSky #SurfSci #SurfaceScience
go.bsky.app/LKyQJm7