ChemSci and ChemEng, Bernal Institute, University of Limerick We support human rights and freedom; no wars, no repression, no propaganda, no internet shutdowns
Limerick, Ireland
Joined June 2020
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Our understanding of PdHx/Pd electrode surfaces is bringing us a step closer to unravelling what happened during Fleischmann & Pons 'Cold Fusion' experiments.
We’re excited to share our latest Computational & Experimental Study on Hydride-Induced Reconstruction of Pd Electrode Surfaces, now published in Advanced Materials @AdvPortfolio.
🎉 Congrats to @ktpalapin @SousaNikk from our MACATAMO-group 👏👏
onlinelibrary.wiley.com/doi/…
Special thanks to our collaborators at @ECS_TUM @hiern_de @IcamsB @AaltoUniversity LEPMI-@UGrenobleAlpes!
This work is part of the EU-HERMES Project @HERMESProjectEU.
@ChemicalSciUL @BernalNews @UL_Research @sci_engUL
#palladium #electrocatalyst #compchem #electrochemistry #coldfusion
Materials & Catalysis Modelling Group retweeted
Iran 'killed 16,500 protesters and injured more than 300,000' in brutal crackdown, report claims - as regime accused of 'genocide under cover of digital darkness' trib.al/r5rQjKf
Materials & Catalysis Modelling Group retweeted
Thousands of Iranian tech workers in Silicon Valley call for urgent action in Iran trib.al/sAfdaJO
Modeling metal electrocatalysts? Don’t forget subsurface hydrides, see our Viewpoint. 👀
pubs.acs.org/doi/10.1021/acs…
Interested in COF/MOF-based single-atom catalysts for CO₂ valorisation?
Check out our latest review in RSC Energy & Environmental Science
pubs.rsc.org/en/content/arti…
Our recent collaborative paper (exp+comp) in Materials Science & Engineering R shows how β-phase hydroxide steers the inner PtN₂ sites for exceptional H₂ production: 15 mV @ 10 mA cm⁻², 3.0 A cm⁻² @ 1.75 V (80 °C), >200 h durability. 👏
doi.org/10.1016/j.mser.2025.…
Modelling metal cathodes as electrocatalysts? Don't forget to check if there are subsurface hydrides!
Modeling Metal Electrocatalysts as Cathodes: The Urgent Need to Look Beneath the Surface
pubs.acs.org/doi/10.1021/acs…
Materials & Catalysis Modelling Group retweeted
Modeling Metal Electrocatalysts as Cathodes: The Urgent Need to Look Beneath the Surface
pubs.acs.org/doi/10.1021/acs…
Materials & Catalysis Modelling Group retweeted
Our latest work showing the potential of the multivariate modulation of MOFs to enhance CO2 adsorption capacity is now online at @MaterHoriz 🧪🧪🔬
pubs.rsc.org/en/content/arti…
Thanks to @carmenromar99 and all the collaborators @MACATAMO_Group @Sousa_Nikk @marci_zanatta
Our recent collaborative work combining synthesis, experiment and theory on Pd(100) nanocubes for HER is published in Small @WileyGlobal
@HERMESProjectEU @CEITEC_Brno @AaltoUniversity
Congrats to all authors 👏
@mumerchem
@UL @ChemicalSciUL @BernalNews
#compchem #electrochemistry #energy
onlinelibrary.wiley.com/doi/…
Congratulations Apinya !!!👏👏👏
🎓Officially graduated with my PhD! 🥳
A heartfelt thank you to my supervisor, Prof. Matthias Vandichel, @MACATAMO_Group, collaborators, and my family and friends for their incredible support. 🙏🏻🎉
@ChemicalSciUL @BernalNews @UL_Research @sci_engUL @UL
Materials & Catalysis Modelling Group retweeted
Sam's SAM has unusual water vapor sorption properties + strange guest-induced structural transformations. Read in @ACSMatLett: pubs.acs.org/doi/10.1021/acs…
Congrats to all @zgroupUL and @MACATAMO_Group authors on 2025 paper #1, especially @SamM_Shabangu for his first 1st author paper.
Materials & Catalysis Modelling Group retweeted
Transient porosity in a closed pore solid reported by @zgroupul + @MukherjeeChem in @angew_chem: onlinelibrary.wiley.com/doi/…
Congrats @KKoupepidou for never giving up on this sorbent + @Barbour_Group @MACATAMO_Group who provided insight into sorption mechanism (angular linker = 😀)
Materials & Catalysis Modelling Group retweeted
Happy to share a new co-first authored paper in Advanced Materials! We investigate the reconstruction processes on Pd well-defined surfaces after H-insertion by both experimental and computational approaches @hiern_de @ECS_TUM @UL @ruhrunibochum
onlinelibrary.wiley.com/doi/…
Materials & Catalysis Modelling Group retweeted
Brilliant 2 days of MOF presentations and brainstorming hosted by Neil and @UoBChemistry in their swanky new digs.
@ZGroupUL, @MACATAMO_Group + @MukherjeeChem pleased to present + participate in the discussions. Looking forward to future partnerships.
#ChemicalSciUL #bernalnews
Fantastic to host both old friends and new from @UL and @ICMol_UV for two days discussing all things MOF. @UoBChemistry.
Materials & Catalysis Modelling Group retweeted
Better, cheaper and greener - prototypal members of new platform of hybrid ultramicroporous materials based on en chelate linker reported by @zgroupul @MukherjeeChem + @MACATAMO_Group in @ChemicalScience:
pubs.rsc.org/en/content/arti…
🥂 Dan O'H + @koli_motte + 1st paper @AsifRaza_chem
Our team had an incredible week at @EuChemS_Congres 2024 in #Dublin! We presented our molecular modelling research during oral and poster presentations.
@BernalNews @ChemicalSciUL
#ECC9 @EuChemS
🚨 Just published! Excited to share our computational work on structure-property correlations within tetrapod-shaped CZTSe nanocrystals published in Advanced Science @WileyGlobal
Congrats to first author @ktpalapin 🥳
@BernalNews @ChemicalSciUL
doi.org/10.1002/advs.2024021…
