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Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?

Gaseous methanol in cold environments: is thermal desorption from low binding energy sites the explanation?

por Albert Rimola | Dic 12, 2025 | Publication

The binding energy distribution of methanol on interstellar ice grains, particularly a low-energy fraction (ca. 2%, 10 kJ mol⁻¹), enables its thermal desorption into the gas phase even in cold cosmic environments, resolving a long-standing observational challenge....
Hot Sulfur on the Rocks: The Reaction of Electronically Excited Sulfur Atoms with Water in an Ice-Surface Model

Hot Sulfur on the Rocks: The Reaction of Electronically Excited Sulfur Atoms with Water in an Ice-Surface Model

por Albert Rimola | Dic 12, 2025 | Publication

Theoretical simulations of the reaction of excited atomic sulfur (¹D) with water on an 18-molecule ice cluster reveal that the ice environment stabilizes novel products (H₂OS and HOSH) by dissipating energy and altering reaction pathways, demonstrating that gas-phase...
The Prebiotic Pathway from P-Bearing Iron Meteorites to Phosphates by DFT Modeling

The Prebiotic Pathway from P-Bearing Iron Meteorites to Phosphates by DFT Modeling

por Albert Rimola | Dic 12, 2025 | Publication

Computational kinetic studies reveal the water corrosion of meteoritic schreibersite (Fe2NiP) to phosphorus-oxygen compounds, a key prebiotic process, can occur on a scale of a few hours at 350 K. Among the biogenic macroelements, phosphorus is the one bringing the...
Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry

Exploring Forsterite Surface Catalysis in HCN Polymerization: Computational Insights for Astrobiology and Prebiotic Chemistry

por Albert Rimola | Dic 12, 2025 | Publication

According to quantum mechanical simulations, the less reactive (120) and (101) surfaces of the cosmic silicate forsterite effectively catalyze the formation of prebiotic iminoacetonitrile from hydrogen cyanide by enabling its deprotonation while still allowing...
Reactivity of chondritic meteorites under H2-rich atmospheres: Formation of H2S

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

por Albert Rimola | Dic 12, 2025 | Publication

Chondritic meteorites, as analogs for early Solar System dust, can catalytically reduce FeS to H₂S and metallic Fe under hydrogen-rich atmospheres, with implications for early planetary chemistry. Current models of chemical evolution during star and planetary...
Atomistic Insights on Prebiotic Phosphorylation of Methanol from Schreibersite (Fe2NiP) Corrosion: Ab Initio Computational Study

Atomistic Insights on Prebiotic Phosphorylation of Methanol from Schreibersite (Fe2NiP) Corrosion: Ab Initio Computational Study

por Albert Rimola | Dic 12, 2025 | Publication

Through density functional theory calculations, the mineral Schreibersite from meteorites can thermodynamically and kinetically promote the deprotonation of methanol and water, leading to its own corrosion and the formation of prebiotically significant phosphate and...
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