Designing the future atomic electrocatalyst for efficient energy systems

Abstract

Following the fast development of electrocatalysts, atomic catalysts have surely become the most frontier research topic in energy supply systems. In varied electrochemical reactions, they have displayed untapped potential for practical applications due to the exceptional performances in both electroactivity and selectivity, ultra‐high metal utilization, and flexible substrates. Besides the conventional experimental synthesis strategies and characterization techniques, advanced theoretical calculations and even machine learning algorithms have been introduced to understand and predict the electrocatalysis performances of novel atomic catalysts, supplying the insightful knowledge for the future rational design and synthesis of the atomic catalyst with the desired properties. Therefore, this review will highlight the recent advance achievements in atomic catalysts regarding the atomic catalyst synthesis and applications, covering the mainstream electrochemical process in energy applications. Meanwhile, we also summarize the application of advanced theoretical explorations as valuable references for future electrocatalyst design. Moreover, we will summarize the existing challenges for the practical applications and the prospects of present atomic catalysts.

Development of high-performance bi-functional novel CdSnS2 atom clusters for adsorption of rose Bengal and AOP-assisted degradation of methylene blue

“…The crystallite size indicates the formation of CdSnS 2 atom clusters, as nanoparticles equal to or less than 1 nm are termed atom clusters. 29–31…”

Modulation of electronic structures in N‐doped TiO2(B) for hydrogen evolution: A density functional theory study

“…Among these, TiO 2 (B), which is a metastable phase of TiO 2 with enhanced electrical conductivity, holds great potential for various energy-related applications such as Li-ion batteries, dye-synthesized solar cells (DSCC), and catalysts for photocatalytic and photoelectrochemical devices. [8][9][10][11][12][13] Notably, the application of TiO 2 (B) in the photocatalytic field is limited due to its relatively large bandgap energy (E g ) value of approximately 3.2 eV. To overcome this limitation and develop an efficient photocatalytic medium, extensive research has been conducted on TiO 2 (B) nanostructures, including doping with different atoms or introducing multiphase TiO 2 .…”

“…Typically, TiO 2 exists in four main polymorphs: anatase, rutile, brookite, and bronze (B). Among these, TiO 2 (B), which is a metastable phase of TiO 2 with enhanced electrical conductivity, holds great potential for various energy‐related applications such as Li‐ion batteries, dye‐synthesized solar cells (DSCC), and catalysts for photocatalytic and photoelectrochemical devices 8–13 …”