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

IF 2.9 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

ACS Earth and Space Chemistry Pub Date : 2025-02-03 DOI:10.1021/acsearthspacechem.4c0032110.1021/acsearthspacechem.4c00321

Stefano Pantaleone*, Marta Corno, Albert Rimola, Nadia Balucani and Piero Ugliengo*,

引用次数: 0

Abstract

Among the biogenic macroelements, phosphorus is the one bringing the most fascinating and unsolved mysteries concerning 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 are the subject of this kinetic computational study, which complements our previous thermodynamic characterization. The reaction was studied at the periodic DFT level, simulating the water corrosion reaction on the reactive Fe₂NiP schreibersite (001) surface. Results show that the time scale of the reaction at 350 K is a few hours.

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来源期刊

ACS Earth and Space Chemistry Earth and Planetary Sciences-Geochemistry and Petrology

CiteScore

5.30

自引率

11.80%

发文量

249

期刊介绍： The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.