Materials & Catalysis Modelling Group
@MACATAMO_Group
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Materials & Catalysis Modelling group (Matthias Vandichel), Department of Chemical Sciences and Bernal Institute, University of Limerick
Limerick, Ireland
Joined June 2020
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.
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RT @isabanadeslaza1: Our latest work showing the potential of the multivariate modulation of MOFs to enhance CO2 adsorption capacity is now….
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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.
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RT @ZGroupUL: Sam's SAM has unusual water vapor sorption properties + strange guest-induced structural transformations. Read in @ACSMatLett….
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RT @ZGroupUL: Transient porosity in a closed pore solid reported by @zgroupul + @MukherjeeChem in @angew_chem: Con….
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RT @valentinbriega: Happy to share a new co-first authored paper in Advanced Materials! We investigate the reconstruction processes on Pd w….
advanced.onlinelibrary.wiley.com
Optimizing electrocatalyst performance requires insights into surface and subsurface structures under reaction conditions. This study uncovers hydrogen-induced reconstruction processes on low-index...
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RT @ZGroupUL: Brilliant 2 days of MOF presentations and brainstorming hosted by Neil and @UoBChemistry in their swanky new digs. @ZGroupUL….
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RT @hughgeaney: Rashad's paper on Mg-ion battery anode development is now available online in @ACS_AMI . Nice collaboration with @MACATAMO_….
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RT @ZGroupUL: Better, cheaper and greener - prototypal members of new platform of hybrid ultramicroporous materials based on en chelate lin….
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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
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The 3D periodic structure of only two domains was demonstrated to exhibit a band gap. The computationally predicted type-II band alignment between the two semiconductor domains facilitates electron-hole pair separation and enhances solar power conversion efficiency.
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🚨 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 .
advanced.onlinelibrary.wiley.com
Four identified domains within tetrapod-shaped CZTSe nanocrystals have distinct electronic properties. Interestingly, the 3D periodic structure of only two domains exhibits a band gap. Moreover, the...
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Flexible double-walled dia net offers surprisingly high methane storage capacity. @xiali_lisa has her 2nd ACS paper today in @J_A_C_S:.@zgroupUL really 🩷dia nets. 🙏@MACATAMO_Group, @kaskel group, @Barbour_Group and the "ZZ" group @NanKaiUniv . 🎉TGIF🥂
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We are delighted to have hosted the @HERMESProjectEU consortium meeting last two days at @BernalNews @UL ! Lots of insightful discussions and excited for what's to come.
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RT @ZGroupUL: A double diamondoid (ddi) network can work wonders - in this case phase switching induced by C8 aromatics. Reported by @zgro….
pubs.acs.org
Coordination networks (CNs) that undergo guest-induced structural transformations are of topical interest thanks to their potential utility in separations and storage applications. Herein, we report...
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Check out our recent study on cathodic hydride formation in defective Pd surfaces using computational surface Pourbaix diagrams. Congrats to all authors and our EU Funded project @HERMESProjectEU 👏. @ChemicalSciUL @BernalNews @sci_engUL @UL_Research.
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Our latest work on understanding cathodic hydride formation on palladium surfaces is out !. Congrats to all authors 👏🎉and thanks to our EU funded project @HERMESProjectEU . @BernalNews @ChemicalSciUL @UL_Research .#compchem #palladium #HER #Coldfusion .
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