Dynamische Modellierung v. Sites in der heterogenen Katalyze

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Primary Data

Project Acronym Projekt Kurzbezeichnung
DYNAMO
 
Project Title (de) Projekttitel (de)
Dynamische Modellierung v. Sites in der heterogenen Katalyze
 
Project Title (en) Projekttitel (en)
Dynamic Modelling of Active Sites in Heterogeneous Catalysis
 
Consortium Coordinator Koordinator des Konsortiums
 
Principal Investigator Projektleiter_in
 

Grants

Funder/Funding Agency Fördergeber
FWF - Österr. Wissenschaftsfonds
Grant number Förderkennnummer
PAT3175423
 

Publications

Results 1-7 of 7 (Search time: 0.003 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Comas-Vives-2026-Accounts of Chemical Research-vor.pdf.jpgComas-Vives, Aleix ; Copéret, Christophe Nature and Dynamics of Active Sites in Cu-Based Catalysts for the CO₂ Hydrogenation to MethanolArticle Artikel 6-Jan-2026
2Wei-2025-CCS Chemistry-vor.pdf.jpgWei, Zhou ; Praveen, C. S. ; Wang, Wei ; He, Chenxi ; Toyao, Takashi ; Shimizu, Ken-ichi ; Toyoshima, Ryo ; Kondoh, Hiroshi ; Wang, Yuhao ; Wang, Chunliang ; Paterson, James ; Southouse, Jamie ; Pauletti, Carlo Federico ; Comas-Vives, Aleix ; Copéret, Christophe PtZn Versus PtGa in CO₂ Hydrogenation: When Alloy Stability and Redox Dynamics Drive SelectivityArticle Artikel Jan-2026
3Comas-Vives, Aleix Atomistic Understanding of MXenes as Catalysts and Single-Atom Catalyst Supports for C1 ConversionPresentation Vortrag10-Sep-2025
4Mueller-2025-Helvetica Chimica Acta-vor.pdf.jpgMüller, Andreas ; Comas-Vives, Aleix ; Copéret, Christophe Effect of Particle Size and Alloying with Gallium and Zinc in Copper Nanoparticles from Ab Initio Molecular DynamicsArticle Artikel Mar-2025
5Eseroglou, Christoforos ; Erhard, Linus Carl ; Comas-Vives, Aleix Training Machine Learning Interatomic Potentials for CuGa alloys active in CO2 HydrogenationInproceedings Konferenzbeitrag2025
6Comas Vives, Aleix Nature of active sites in CO2 hydrogenation catalystsPresentation Vortrag23-Oct-2024
7Comas Vives, Aleix Nature of Active Sites in CO2 Hydrogenation-to-Methanol CatalystsPresentation Vortrag15-Jul-2024