Using the NN dipole as a theoretical indicator for estimating the electrocatalytic performance of active sites in the nitrogen reduction reaction: single transition metal atoms embedded in two dimensional phthalocyanine

Fangfang Liu, Fangfang Zheng + Show 6 more

https://doi.org/10.1039/c9ta12345h

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Journal: Journal of Materials Chemistry A	Publication Date: Jan 1, 2020
Citations: 52

Abstract

The dipole of the NN triple bond in an adsorbed N2 molecule as an efficient theoretical indicator for estimating NRR activities.

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