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S. Li and R. Jin
NCs by combining DFT calculation and electrochemical experiment. Compared with
traditional nanoparticles, the precise structure of nanoclusters makes the computational modeling much more facile and convincing. It is anticipated that the application
of metal NCs in CO 2 RR can offer insights in the mechanism study in the future.
2.7 Summary and Future Perspective
In this chapter, we have summarized the literature work about metal NCs as electrochemical catalysts. Compared with the metallic nanoparticles, the metal NCs exhibit
discrete electronic energy levels due to the quantum size effect. This unique electronic
property, plus atomically precise structures, as well as their various atom-packing
structures, render the nanoclusters great potential in catalytic applications.
Metal nanoclusters (homogold and doped ones) have been demonstrated in several
important electrochemical reactions including HER, OER, ORR, and CO 2 RR. The
results show that doping effects, synergetic effects, size effects, thermostability
effects, charge effects, and morphology effects all play important roles in the catalytic
effects. One of the most important advantages of nanoclusters in catalysis is the
feasibility of computational modeling due to the available structure. For example, the
catalytic mechanism of CO 2 RR over Cu 32 H 20 L 12 NCs are predicted by DFT calculations and successfully verified by the electrochemical experiment. Metal nanoclusters
are expected to be a promising class of model catalysts for correlating the structure
and properties, providing exciting opportunities for the understanding of catalysis
mechanism at the atomic level.
Future work in NCs electrocatalysis should investigate the following aspects:
(i) The doping effects. Several bimetallic NCs have been reported. However, the
catalytic properties of bimetallic NCs are still rarely studied. The investigation
of bimetallic NCs may be helpful to understand the impact of doping atoms,
further revealing the fundamental catalytic mechanisms;
(ii) The synergetic effects. Au NCs-loaded composite materials are reported to
show enhanced catalytic activity. It is essential to understand the interaction
between supporting materials and metal NCs with more precise interfaces;
(iii) Metal NCs in other catalytic reactions. Owing to the characterized structure and
tunable properties, metal NCs should be broadened to other catalytic reactions
to study the fundamental catalytic mechanisms, such as nitrogen reduction
reactions (NRR). The new electrocatalytic reactions remain to be explored.
S. Li and R. Jin
NCs by combining DFT calculation and electrochemical experiment. Compared with
traditional nanoparticles, the precise structure of nanoclusters makes the computational modeling much more facile and convincing. It is anticipated that the application
of metal NCs in CO 2 RR can offer insights in the mechanism study in the future.
2.7 Summary and Future Perspective
In this chapter, we have summarized the literature work about metal NCs as electrochemical catalysts. Compared with the metallic nanoparticles, the metal NCs exhibit
discrete electronic energy levels due to the quantum size effect. This unique electronic
property, plus atomically precise structures, as well as their various atom-packing
structures, render the nanoclusters great potential in catalytic applications.
Metal nanoclusters (homogold and doped ones) have been demonstrated in several
important electrochemical reactions including HER, OER, ORR, and CO 2 RR. The
results show that doping effects, synergetic effects, size effects, thermostability
effects, charge effects, and morphology effects all play important roles in the catalytic
effects. One of the most important advantages of nanoclusters in catalysis is the
feasibility of computational modeling due to the available structure. For example, the
catalytic mechanism of CO 2 RR over Cu 32 H 20 L 12 NCs are predicted by DFT calculations and successfully verified by the electrochemical experiment. Metal nanoclusters
are expected to be a promising class of model catalysts for correlating the structure
and properties, providing exciting opportunities for the understanding of catalysis
mechanism at the atomic level.
Future work in NCs electrocatalysis should investigate the following aspects:
(i) The doping effects. Several bimetallic NCs have been reported. However, the
catalytic properties of bimetallic NCs are still rarely studied. The investigation
of bimetallic NCs may be helpful to understand the impact of doping atoms,
further revealing the fundamental catalytic mechanisms;
(ii) The synergetic effects. Au NCs-loaded composite materials are reported to
show enhanced catalytic activity. It is essential to understand the interaction
between supporting materials and metal NCs with more precise interfaces;
(iii) Metal NCs in other catalytic reactions. Owing to the characterized structure and
tunable properties, metal NCs should be broadened to other catalytic reactions
to study the fundamental catalytic mechanisms, such as nitrogen reduction
reactions (NRR). The new electrocatalytic reactions remain to be explored.