Recent Progress in Dinitrogen Activation by Gas-Phase Metal Species
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Updated: Sep 24, 2025

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
Li-Hui Mou1,2,3, Zi-Yu Li1,3, Sheng-Gui He1,2,3
1State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P.R. China.
Abstract:
Understanding the mechanisms to activate and functionalize dinitrogen (N2) is of great importance for the rational design of nitrogen-fixation catalysts. Reactions of gas-phase species with N2 are being actively studied to understand the bond activation and formation processes at a strictly molecular level. This Perspective provides an overview of the recent progress in combined experimental and theoretical studies on the activation and functionalization of N2 by gas-phase metal species. New mechanistic insights into N2 molecular adsorption, N≡N cleavage, and N-X (X = C, B, and H) formation have been introduced, in which the new reaction channels of ejecting neutral metal fragments and the coupling reactions of N2 with other molecules are highlighted. Finally, the current challenges and outlooks of N2 activation in the gas phase are discussed as well.
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