Computational Studies on Heterogeneous Astrocatalysis of Space-Abundant Transition Metals

Informazioni relative al progetto

CHAOS

ID dell’accordo di sovvenzione: 101105235

DOI

10.3030/101105235

Progetto chiuso

Data della firma CE 14 Marzo 2023

Data di avvio 1 Settembre 2024

Data di completamento 31 Agosto 2026

Finanziato da

• Marie Skłodowska-Curie Actions (MSCA)

Costo totale

Nessun dato

Contributo UE

€ 165 312,96

Coordinato da

UNIVERSITAT AUTONOMA DE BARCELONA
Spain

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I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Documents, reports (1)

Communication, Dissemination & Exploitation Plan

The plan describes the planned measures to maximize the impact of the project, including the dissemination and exploitation measures that are planned, and the target group(s) addressed. Regarding communication measures and public engagement strategy, the aim is to inform and reach out to society and show the activities performed, and the use and the benefits the project will have for citizens.

Data Management Plan (1)

Data Management Plan

The Data Management Plan describes the data management life cycle for all data sets that will be collected, processed or generated by the action. It is a document describing what data will be collected, processed or generated and following what methodology and standards, whether and how this data will be shared and/or made open, and how it will be curated and preserved.

Pubblicazioni

Peer reviewed articles (9)

Quantum mechanical atomistic investigation of the hydrogen addition to carbon monosulfide on interstellar water ice

Autori: Gabriella Di Genova, Gerard Pareras, Christian Dominguez-Dalmases, Nadia Balucani, Cecilia Ceccarelli, Albert Rimola
Pubblicato in: Astronomy & Astrophysics, Numero 711, 2026, ISSN 0004-6361
Editore: EDP Sciences
DOI: 10.1051/0004-6361/202660371

Confined Chemistry in Space: Zeolite‐Supported Fe ₁₃ Nanoclusters Modulate CS Reactivity

Autori: Gerard Pareras, Albert Rimola
Pubblicato in: Small Structures, Numero 7, 2026, ISSN 2688-4062
Editore: Wiley
DOI: 10.1002/SSTR.202500909

Single-atom iron on silicon carbide surfaces as catalyst of Fischer-Tropsch-type reactions in astrophysical environments

Autori: Gerard Pareras, Albert Rimola
Pubblicato in: Frontiers in Astronomy and Space Sciences, Numero 12, 2025, ISSN 2296-987X
Editore: Frontiers Media SA
DOI: 10.3389/FSPAS.2025.1605553

Reactivity of chondritic meteorites under H2-rich atmospheres: formation of H2S

Autori: V Cabedo, G Pareras, J Allitt, A Rimola, J Llorca, H H P Yiu, M R S McCoustra
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 535, 2024, ISSN 0035-8711
Editore: Oxford University Press (OUP)
DOI: 10.1093/MNRAS/STAE2520

Single atom iron promotes CS hydrogenation on interstellar grain analogues

Autori: Gerard Pareras
Pubblicato in: npj Computational Materials, 2026, ISSN 2057-3960
Editore: Springer Science and Business Media LLC
DOI: 10.1038/S41524-026-02185-9

Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN

Autori: Niccolò Bancone, Stefano Pantaleone, Gerard Pareras, Piero Ugliengo, Albert Rimola, Marta Corno
Pubblicato in: ACS Earth and Space Chemistry, Numero 9, 2025, ISSN 2472-3452
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACSEARTHSPACECHEM.5C00166

Benzene formation on interstellar dust grain analogues via single-atom Fe catalysis

Autori: J Allitt, G Pareras, V Cabedo, A Rimola, M R S McCoustra
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 550, 2026, ISSN 0035-8711
Editore: Oxford University Press (OUP)
DOI: 10.1093/MNRAS/STAG1202

Comprehensive Atomistic Simulations of Fischer–Tropsch in Outer Space: Astrocatalysis by Fe₁₃–Supported Nanoclusters on SiO₂

Autori: Gerard Pareras, Victoria Cabedo, Martin McCoustra, Albert Rimola
Pubblicato in: The Journal of Physical Chemistry C, Numero 129, 2025, ISSN 1932-7447
Editore: American Chemical Society (ACS)
DOI: 10.1021/ACS.JPCC.5C01472

Energy partitioning in H ₂ formation on interstellar carbonaceous grains. Insights from <i>ab initio</i> molecular dynamics simulations

Autori: Léana Jubert, Berta Martínez-Bachs, Gerard Pareras, Albert Rimola
Pubblicato in: Physical Chemistry Chemical Physics, Numero 27, 2026, ISSN 1463-9076
Editore: Royal Society of Chemistry (RSC)
DOI: 10.1039/D5CP01585E

Other (3)

Data Management Plan

Comprehensive Atomistic Simulations of Fischer–Tropsch in Outer Space: Astrocatalysis by Fe₁₃–Supported Nanoclusters on SiO₂

Autori: Gerard Pareras; Victoria Cabedo; Martin McCoustra; Albert Rimola
Pubblicato in: The Journal of Physical Chemistry C, 2025
DOI: 10.1021/ACS.JPCC.5C01472

Energy partitioning in H₂ formation on interstellar carbonaceous grains. Insights from <i>ab initio</i> molecular dynamics simulations

Autori: Léana Jubert; Berta Martínez-Bachs; Gerard Pareras; Albert Rimola
Pubblicato in: Physical Chemistry Chemical Physics, 2025
DOI: 10.1039/D5CP01585E