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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Our latest work showing the potential of the multivariate modulation of MOFs to enhance CO2 adsorption capacity is now online at @MaterHoriz 🧪🧪🔬 https://t.co/ljGPoOQAnO Thanks to @carmenromar99 and all the collaborators @MACATAMO_Group @Sousa_Nikk @marci_zanatta
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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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Sam's SAM has unusual water vapor sorption properties + strange guest-induced structural transformations. Read in @ACSMatLett: https://t.co/0uucD2C3ce Congrats to all @zgroupUL and @MACATAMO_Group authors on 2025 paper #1, especially @SamM_Shabangu for his first 1st author paper.
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Transient porosity in a closed pore solid reported by @zgroupul + @MukherjeeChem in @angew_chem: https://t.co/U7k5kJJACV Congrats @KKoupepidou for never giving up on this sorbent + @Barbour_Group @MACATAMO_Group who provided insight into sorption mechanism (angular linker = 😀)
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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
https://t.co/qXgwYZyDVQ
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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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.
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Rashad's paper on Mg-ion battery anode development is now available online in @ACS_AMI . Nice collaboration with @MACATAMO_Group 🔋🔌⚡️💡 https://t.co/VXxLwsrLoB
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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: https://t.co/QqZNOv0XYc 🥂 Dan O'H + @koli_motte + 1st paper @AsifRaza_chem
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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
https://t.co/Jph2Peeerm
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: https://t.co/NLyQGYyX75
@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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@zgroupUL 💕sql nets (X-sql-1-Cu) + 💕flexibility + 💕polymorphism, all of which reported in our latest paper in @ACS_AMI: https://t.co/wBq1BUz572 In this case, polymorphism was found to impact Pgo Many congrats to 1st author @sbnbkv + collaborators @MACATAMO_Group, @kaskel
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A double diamondoid (ddi) network can work wonders - in this case phase switching induced by C8 aromatics. Reported by @zgroupUL + @MACATAMO_Group Now out OA in @ACSMatLett: https://t.co/MEdF9FpHMZ Congrats @KKoupepidou "KK" for her latest flexible MOF paper + @ShiQiang_SQ "SQ"
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
https://t.co/4Aodwbu51S
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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
https://t.co/o7iykvgntL
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