Computational Studies on Heterogeneous Astrocatalysis of Space-Abundant Transition Metals

Información del proyecto

CHAOS

Identificador del acuerdo de subvención: 101105235

DOI

10.3030/101105235

Proyecto cerrado

Fecha de la firma de la CE 14 Marzo 2023

Fecha de inicio 1 Septiembre 2024

Fecha de finalización 31 Agosto 2026

Financiado con arreglo a

• Marie Skłodowska-Curie Actions (MSCA)

Coste total

Sin datos

Aportación de la UE

€ 165 312,96

Coordinado por

UNIVERSITAT AUTONOMA DE BARCELONA
Spain

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

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.

Publicaciones

Peer reviewed articles (9)

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

Autores: Gabriella Di Genova, Gerard Pareras, Christian Dominguez-Dalmases, Nadia Balucani, Cecilia Ceccarelli, Albert Rimola
Publicado en: Astronomy & Astrophysics, Edición 711, 2026, ISSN 0004-6361
Editor: EDP Sciences
DOI: 10.1051/0004-6361/202660371

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

Autores: Gerard Pareras, Albert Rimola
Publicado en: Small Structures, Edición 7, 2026, ISSN 2688-4062
Editor: Wiley
DOI: 10.1002/SSTR.202500909

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

Autores: Gerard Pareras, Albert Rimola
Publicado en: Frontiers in Astronomy and Space Sciences, Edición 12, 2025, ISSN 2296-987X
Editor: Frontiers Media SA
DOI: 10.3389/FSPAS.2025.1605553

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

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

Single atom iron promotes CS hydrogenation on interstellar grain analogues

Autores: Gerard Pareras
Publicado en: npj Computational Materials, 2026, ISSN 2057-3960
Editor: 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

Autores: Niccolò Bancone, Stefano Pantaleone, Gerard Pareras, Piero Ugliengo, Albert Rimola, Marta Corno
Publicado en: ACS Earth and Space Chemistry, Edición 9, 2025, ISSN 2472-3452
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACSEARTHSPACECHEM.5C00166

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

Autores: J Allitt, G Pareras, V Cabedo, A Rimola, M R S McCoustra
Publicado en: Monthly Notices of the Royal Astronomical Society, Edición 550, 2026, ISSN 0035-8711
Editor: 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

Autores: Gerard Pareras, Victoria Cabedo, Martin McCoustra, Albert Rimola
Publicado en: The Journal of Physical Chemistry C, Edición 129, 2025, ISSN 1932-7447
Editor: 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

Autores: Léana Jubert, Berta Martínez-Bachs, Gerard Pareras, Albert Rimola
Publicado en: Physical Chemistry Chemical Physics, Edición 27, 2026, ISSN 1463-9076
Editor: 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

Autores: Gerard Pareras; Victoria Cabedo; Martin McCoustra; Albert Rimola
Publicado en: 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

Autores: Léana Jubert; Berta Martínez-Bachs; Gerard Pareras; Albert Rimola
Publicado en: Physical Chemistry Chemical Physics, 2025
DOI: 10.1039/D5CP01585E