The prebiotic pathway from P-bearing iron meteorites to phosphates by DFT modeling

Fuente: arXiv
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Autori principali: Pantaleone, Stefano, Corno, Marta, Rimola, Albert, Balucani, Nadia, Ugliengo, Piero
Natura: Preprint
Pubblicazione: 2025
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author Pantaleone, Stefano
Corno, Marta
Rimola, Albert
Balucani, Nadia
Ugliengo, Piero
author_facet Pantaleone, Stefano
Corno, Marta
Rimola, Albert
Balucani, Nadia
Ugliengo, Piero
contents Among the biogenic macroelements, phosphorus is the one bringing the most fascinating and unsolved mysteries for what concern its prebiotic history. It possibly landed on Earth as a metal phosphide (Schreibersite, (Fe,Ni)3P), throughout the Heavy Meteor Bombardment during the Archean Era. Its subsequent corrosion by water led to P-oxygenated compounds, which is the subject of this kinetic computational study, thus complementing our previous thermodynamic characterization. The reaction was studied at periodic DFT level, simulating the water corrosion reaction on the reactive Fe2NiP Schreibersite (001)2 surface. Results show that the timescale of the reaction at 350 K is of few hours.
format Preprint
id arxiv_https___arxiv_org_abs_2502_19235
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle The prebiotic pathway from P-bearing iron meteorites to phosphates by DFT modeling
Pantaleone, Stefano
Corno, Marta
Rimola, Albert
Balucani, Nadia
Ugliengo, Piero
Earth and Planetary Astrophysics
Geophysics
Among the biogenic macroelements, phosphorus is the one bringing the most fascinating and unsolved mysteries for what concern its prebiotic history. It possibly landed on Earth as a metal phosphide (Schreibersite, (Fe,Ni)3P), throughout the Heavy Meteor Bombardment during the Archean Era. Its subsequent corrosion by water led to P-oxygenated compounds, which is the subject of this kinetic computational study, thus complementing our previous thermodynamic characterization. The reaction was studied at periodic DFT level, simulating the water corrosion reaction on the reactive Fe2NiP Schreibersite (001)2 surface. Results show that the timescale of the reaction at 350 K is of few hours.
title The prebiotic pathway from P-bearing iron meteorites to phosphates by DFT modeling
topic Earth and Planetary Astrophysics
Geophysics
url https://arxiv.org/abs/2502.19235