Related Experiment Video
Updated: Jul 12, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
A single transition metal atom anchored on Nb2C as an electrocatalyst for the nitrogen reduction reaction
Xuanyue Zhang1, Likai Yan1, Zhongmin Su2
1Institute of Functional Material Chemistry, Key Laboratory of Polyoxometalate Science of Ministry of Education, Faculty of Chemistry, Northeast Normal University, Changchun 130024, P. R. China. yanlk924@nenu.edu.cn.
Abstract:
Nitrogen (N2) reduction to produce ammonia (NH3) under milder conditions is attractive as NH3 has been widely used in various fields. The electrocatalytic nitrogen reduction reaction (NRR) is considered to be a more moderate and green method for ammonia synthesis. Herein, using density functional theory (DFT) computations, we investigated the potential application of single-atom catalysts (SACs) toward the NRR, in which transition metal (TM, TM = Ti, V, Mn, Fe, Co, Y, Zr, Mo) atoms are supported on Nb2C (TM-Nb2C). Through our screening, Fe-Nb2C is highlighted from 8 candidate systems as the superior SAC for the NRR with a low limiting potential of -0.47 V. Meanwhile, a volcano plot between UL (NRR) and the ICOHP values of the N-H bond in *NH2 is established to determine the optimal ICOHP values that can be used as a simple descriptor of the NRR performance of Fe-Nb2C.
More Related Videos
08:40Synthesis 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
08:13Chemical Precipitation Method for the Synthesis of Nb2O5 Modified Bulk Nickel Catalysts with High Specific Surface Area
Published on: February 19, 2018
Related Concept Videos
Electrophilic Aromatic Substitution: Nitration of Benzene
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Properties of Organometallic Compounds
meta-Directing Deactivators: –NO2, –CN, –CHO, –⁠CO2R, –COR, –CO2H
Reduction of Alkynes to trans-Alkenes: Sodium in Liquid Ammonia
When dissolved in liquid ammonia, an alkali metal,...
Nitriles to Amines: LiAlH4 Reduction
As shown below, the mechanism involves three steps. Firstly, the hydride ion acting as a nucleophile attacks the nitrile carbon to form an anion. In the second step, a second equivalent of the hydride ion attacks the anion to...