Work

Quantum Resolution of Biological Nitrogen Fixation via Fe6-Fe2 μ-Bridge Mechanism

Year: 2026
Type: article
Abstract: This paper documents the first successful simulation of N ≡ N triple bond cleavage at ambient temperature and pressure. Utilizing the 10⁻⁴ kcal/mol precision of the CCristo hardware, we identify the μ-bridge attack between Fe6 and Fe2 centers as the primary catalytic vector. Molybdenum (Mo) is proven to act as a polarization anchor, modulating the spin-state of the Iron-Sulfur cluster to bypass the high activation energy of traditional Haber-Bosch processes.
Language: English
Field: Energy
Open Access status: green
OpenAlex ID: W7129336760
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