Binding energies of ethanol and ethylamine on interstellar water ices: synergy between theory and experiments
Experimental and computational chemistry complement each other in providing essential data for astronomical observations and modeling. Through DFT calculations and TPD experiments, the binding energies of ethanol and ethylamine on water ices and on bare gold surface were characterized, revealing a distinct behaviour onto these two surfaces.
leer más…Unlocking the surface chemistry of ionic minerals: a high-throughput pipeline for modeling realistic interfaces
POLYCLEAVER: a new software to automatically generate stoichiometric and non-polar surface slab models for ionic complex solid-state systems.
leer más…Mechanical properties of minerals in lunar and HED meteorites from nanoindentation testing: Implications for space mining
The nanoindentation technique was used to determine mechanical and elemental properties of lunar meteorites.
leer más…Theoretical modelling of the adsorption of neutral and charged sulphur-bearing species on to olivine nanoclusters
Sulphur depletion observed in dense molecular clouds raises questions about the fate of sulphur once it is adsorbed on the surface of dust grains. At this purpose, the adsorption of both neutral and charged S-bearing species on olivine nanoclusters is investigated. Our simulations highlight a strong interaction between S-bearing species and the mineral, especially between sulphur and iron atoms.
leer más…Olivine-catalyzed glycolaldehyde and sugar synthesis under aqueous conditions: Application to prebiotic chemistry
A synergistic experimental and theoretical approach reveal that silicate surfaces present attractive catalytic properties to synthesis sugars through the formose reaction under prebiotic conditions.
leer más…Automated Meteor Classification and Tracking Using Aritifical Intelligence
A novel automated pipeline for meteor classification employing the artificial intelligence-based Convolutional Neural Networks (CNNs) is presented alongside practical applications.
leer más…Gas-Phase vs. Grain-Surface Formation of Interstellar Complex Organic Molecules: A Comprehensive Quantum-Chemical Study
The fundamental differences between gas-phase and grain-surface chemistry is highlighted by simulating the formation routes of representative iCOMs occurring within these two scenarios.
leer más…Single-atom catalysis in space: Computational exploration of Fischer–Tropsch reactions in astrophysical environments
True catalysis in space! Simulations indicate that methanol can form through Fischer-Tropsch synthesis in astrophysical environments by single atom Fe on silica. Fundamental and aplied knowledge at once!.
leer más…Synthesis of urea on the surface of interstellar water ice clusters. A quantum chemical study
Amides, such as urea, are key molecules in prebiotic chemistry because they possess the C-N bond, which is also found in amino acids and nucleobases. Urea has been detected in a few sources in the interstellar medium, raising questions about its synthesis. We characterized various formation mechanisms on the icy mantles of dust grains. We found that presence of icy surfaces is crucial, as they act as reactant concentrators and likely play the role of third body.
leer más…Oort cloud perturbations as a source of hyperbolic Earth impactors
Our latest research focuses on the analysis of an unusual grazing meteor, FH1, detected by the Finnish Fireball Network in October 2022. The meteoroid, with cm-sized dimensions, exhibited an inbound hyperbolic orbit and asteroidal consistency. Our findings suggest that FH1 is more likely a perturbed Oort cloud object than an interstellar interloper, given its orbital plane’s alignment with the ecliptic and proximity to the parabolic velocity limit.
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