Alvaro Posada-Borbón

Computational chemist/physicist and surface scientist with an interest on world problems

[Alvaro Posada-Borbón @APosadaBorbon]

Check our latest publication!

We find that literature assignment of the 405.8 eV N 1s core-electron binding energy to NO3 on O/Ag(111) should be re-evaluated, as N2O4 appears to be a better fit.

https://t.co/WNebB9UTZL

Once again, DFT calculations can help assign XPS peaks!

[Alvaro Posada-Borbón @APosadaBorbon]

Check out our latest publication on the catalytic conversion of LOHC for H2 storage!

We propose a mechanism for toluene/methylcyclohexane conversion on Pt terraces and shows how tuning adsorption/desorption energetics can enhance reaction rates.

https://t.co/mt0PqDRDDk

[Alvaro Posada-Borbón @APosadaBorbon]

Check out our latest paper!

We interrogated the CO-induced structural changes of Cu and Au NP's with DFT-informed kinetic Monte Carlo simulations. We find NPs adapt their structure to the reaction conditions, potentially creating new active sites!

https://t.co/gnlBpq8FaI

[Hector Prats @hpratsgarcia]

Excited to announce the latest release of ZacrosTools (v2.2), a Python library designed to run and analyse Kinetic Monte Carlo (KMC) simulations with Zacros.

Source code: https://t.co/vixYRbAoBV
Documentation: https://t.co/XX0IU1mhib

[Max Planck Society @maxplanckpress]

Two incredible women scientists share a birthday today😊 Marie Curie (1867), two-time Nobel Laureate who coined ‘radioactivity’ & discovered #radium & #polonium, and Lise Meitner (1878), who unlocked the mystery of #nuclearfission, but was (in)famously snubbed for a #Nobel. Both have elements named in their honour: #Meitnerium (element 109) & #Curium (element 96). Happy birthday to these trailblazers!🥳#OTD

[Sofia Kiriakidi @sofiak1r]

So glad to be part of this! Stay tuned 👇
#ChemTwitter #AcademicX

[Matthew Gebbie @GebbieMatthew]

Congrats to Jack McAlpine for his successful thesis defense! Jack was a @GebbieLab co-founder and launched our work on beyond-lithium electrolytes and interfaces. Jack is an excellent scientist, mentor, and colleague. We are proud of you and wish you continued success! 🎓🎉

[Matthew Gebbie @GebbieMatthew]

Congrats to Dr. @Ryan_Cashen on his successful thesis defense! Ryan was a @GebbieLab co-founder and launched our research on ion transport mechanisms in ionic liquids. Ryan is an exceptional scientist, mentor, and teacher. We are proud of you and wish you continued success! 🎉🎓

[Alvaro Posada-Borbón @APosadaBorbon]

At the WISE dialogue 2024 @wise_materials 🧪🔋🇸🇪

[Alvaro Posada-Borbón @APosadaBorbon]

Check out our latest publication!

We report on a single-atom catalysts (Zn/Co–N–C) with excellent ORR activity and prolonged durability. We also explored the reaction kinetics and the effect of site decoration with different intermediates (OH,O,O2,etc).

https://t.co/tPw3HjiAHF

[Alvaro Posada-Borbón @APosadaBorbon]

Fresh off the press!!! Check out this very interesting publication on the melting behaviour of Pd clusters their structural stability.

https://t.co/L7Re8fGFXU

[Matthew Gebbie @GebbieMatthew]

Interested in how interfacial ions impact electrocatalysis? Check out our Invited Perspective in @ACSCatalysis!

Linking Electric Double Layer Formation to Electrocatalytic Activity | ACS Catalysis https://t.co/UN5B1mWhsc

[Marko Melander @markomela]

In two recent publications we have gained insight on the role of electrolyte cations in two alkaline reduction reactions: the O2 and CO2 reduction reactions. Long stories short: the cations critically impact the activity and selectivity of these reactions through multiple effects

[Max Planck Society @maxplanckpress]

Today marks the birthday of two (!) remarkable women scientists🥳- Marie Skłodowska Curie (1867), most famous for the discovery of #radium & #polonium & her #radioactivity research & Lise Meitner (1878), whose brilliance unlocked the secrets of #nuclearfission. Happy birthday, trailblazers!🤗🔬✨#OTD

[Alvaro Posada-Borbón @APosadaBorbon]

@ICIQchem @BerkeleyLab @BASF_ES any chance there will be an online link to the seminar?

[Alvaro Posada-Borbón @APosadaBorbon]

@criskotsu It happens. You can usually retract the abstract by writing to the session head, and cite funding difficulties for the retraction. People usually understand.

[Alvaro Posada-Borbón @APosadaBorbon]

@huntwork_connor Thank you Connor! If you ever want to discuss anything on In2O3 or methanol synthesis from CO2 just hit me up! ;)

[Alvaro Posada-Borbón @APosadaBorbon]

Check out our most recent publication on In2O3! Here we used a combined exp/theo approach for the assignment of XPS (O 1s) spectra upon adsorption of CO2 under various surface conditions. The work was superbly lead by Sabrina Gericke and Minttu Kauppinen!

https://t.co/cLfhJgEam3

[Houqian Li @houqian_li]

Excited to share our work @ScienceMagazine. We proposed a platform technology that combines hydroformylation and thermal depolymerization to upcycle waste polyolefins, enabling carbon circularity! Feel free to DM me for the PDF copy. https://t.co/7eWXYyAt82

[Alvaro Posada-Borbón @APosadaBorbon]

This will be a good one!

[Hector Prats @hpratsgarcia]

Looking forward to present my work on the kinetic modeling of bifunctional catalysts at the #ACSFall2023 this Sunday, hope to see you there if you're in San Francisco!