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Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling

Unraveling the Interface Chemistry between HCN and Cosmic Silicates by the Interplay of Infrared Spectroscopy and Quantum Chemical Modeling

por Albert Rimola | Oct 11, 2024 | Publication

Infrared spectra of HCN/forsterite interfaces are deconvoluted by means of nonlinear best fits between experimental and computed spectra. This synergistic approach allows a reliable spectroscopic interpretation of gas-surface systems as a powerful tool to study...
Formation of Methanol via Fischer-Tropsch Catalysis by Cosmic Iron Sulphide

Formation of Methanol via Fischer-Tropsch Catalysis by Cosmic Iron Sulphide

por Gerard Pareras | Ago 20, 2024 | Publication

In the extreme conditions of the interstellar medium, cosmic FeS surfaces act as unexpected chemical catalysts, driving the elusive synthesis of methanol and shedding light on its mysterious abundance across the cosmos. Chemical reactions in the gas phase of the...
Single-atom catalysis in space II. Ketene–acetaldehyde–ethanol and methane synthesis via Fischer-Tropsch chain growth.

Single-atom catalysis in space II. Ketene–acetaldehyde–ethanol and methane synthesis via Fischer-Tropsch chain growth.

por Gerard Pareras | Ago 20, 2024 | Publication

Here is the second chapter of true catalysis in space! Simulations indicate that ethanol and FT by-products can form through Fischer-Tropsch synthesis in astrophysical environments by single atom Fe on silica. Fundamental and aplied knowledge at once! The presence of...
Binding Energies and Vibrational Spectral Features of Sn Species on Amorphous Water-ice Mantles: A Quantum Mechanical Study

Binding Energies and Vibrational Spectral Features of Sn Species on Amorphous Water-ice Mantles: A Quantum Mechanical Study

por Albert Rimola | Ago 16, 2024 | Publication

Pure sulfur is known to form several allotropes, which have lately been proposed as possible sulfur reservoir in cold clouds, where gas-phase sulfur depletion is observed. Indeed, larger species show stronger interactions with the water ice mantles of dust grains....
Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations

Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations

por Albert Rimola | Jul 8, 2024 | Publication

The binding energies of 21 N-bearing interstellar species on water ice surfaces have been computed to understand how these species are trapped in ices and their faith in protoplanetary disks by comparing the values with the water snow line Of the about 300 gas-phase...
The binding energy distribution of H2S: why it is not the major sulphur reservoir of the interstellar ices

The binding energy distribution of H2S: why it is not the major sulphur reservoir of the interstellar ices

por Albert Rimola | Jun 21, 2024 | Publication

Computations on the binding energy of H2S on interstellar water ices allow us to understand why H2S is not found as an icy species and yes as a gaseous one. The reason? The weak H2S/H2O ice interactions between the two partners! Despite hydrogen sulphide (H2S) has...
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