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Updated: Jan 17, 2026

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
Bimetallic Titanium-Manganese on Nitrogen- and Boron-Doped Graphene Structures Catalyze Nitrogen Reduction for
Jinrong Huo1, Yuxin Tang1, Pengfei Liu1
1School of Sciences, Xi'an Technological University, Xi'an, Shaanxi, 710021, China.
Abstract:
In this article, considering the different dispersion and aggregation degrees of Ti, Mn on the surface of N and B-doped graphene, Ti-Mn@N4B2-C and Ti2-Mn4@N4B2-C structures are constructed, for nitrogen reduction reaction (NRR) calculation. Considering the complexity of the catalytic reaction process, all possible reaction paths are explored to obtain the free energy changes in Ti-Mn@N4B2-C and Ti2-Mn4@N4B2-C structures. The final results showed that Ti-Mn@N4B2-C and Ti2-Mn4@N4B2-C have good NRR activity, and both of them can be spontaneous at room temperature (limiting potential of 0 eV vs. 0.16 eV).
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