Materials & Energyarticle2026-08-21

The role of the N2/H2 reactant gas mixture on nitrogen activation in the Haber–Bosch process

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Abstract

Data, input files, and instructions for reproducing the results reported in the manuscript: “The role ofthe N2/H2 reactant gas mixture on nitrogen activation in the Haber–Bosch process”. Authors: G. M. Bovolenta, M. Parrinello

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View paper (DOI)Open access versionOpenAlexNature CommunicationsPublished 2026-08-21

Authors: Giulia M. Bovolenta, Michele Parrinello