Pt-Free Metal Nanocatalysts for the Oxygen Reduction Reaction Combining Experiment and Theory: An Overview

Abstract

The design and manufacture of highly efficient nanocatalysts for the oxygen reduction reaction (ORR) is key to achieve the massive use of proton exchange membrane fuel cells. Up to date, Pt nanocatalysts are widely used for the ORR, but they have various disadvantages such as high cost, limited activity and partial stability. Therefore, different strategies have been implemented to eliminate or reduce the use of Pt in the nanocatalysts for the ORR. Among these, Pt-free metal nanocatalysts have received considerable relevance due to their good catalytic activity and slightly lower cost with respect to Pt. Consequently, nowadays, there are outstanding advances in the design of novel Pt-free metal nanocatalysts for the ORR. In this direction, combining experimental findings and theoretical insights is a low-cost methodology—in terms of both computational cost and laboratory resources—for the design of Pt-free metal nanocatalysts for the ORR in acid media. Therefore, coupled experimental and theoretical investigations are revised and discussed in detail in this review article.

Role of Defect Engineering and Surface Functionalization in the Design of Carbon Nanotube-Based Nitrogen Oxide Sensors

“…A very interesting route for designing novel materials is combining theory and experiment [ 129 , 130 ]. It has been demonstrated that combining experimental results and DFT calculations is very efficient for designing novel toxic-gas sensors [ 131 , 132 , 133 ].…”

Stability, Energetic, and Reactivity Properties of NiPd Alloy Clusters Deposited on Graphene with Defects: A Density Functional Theory Study

“…Due to their unique properties, these clusters can be utilized for various technological applications in the fields of catalysis, electronics, and medicine, among others [11][12][13][14]. Specifically, in the field of catalysis, the interest in bimetallic systems formed by Pd alloyed with 3d transition metals has steadily grown, largely due to their promising catalytic efficiency [15][16][17][18][19][20]. For instance, PdNi/C nanoparticles have been evaluated for the ethanol oxidation reaction, where the Pd 2 Ni 3 /C catalyst exhibits higher activity and stability in alkaline media than the Pd/C catalyst [15].…”

Porous Fe−N−C Aerogels Derived from Metal‐Organic Aerogels as Electrocatalysts for the Oxygen Reduction Reaction

“…Therefore, the development of high-performance fuel cells has received widespread attention. [1][2][3] However, oxygen reduction reaction (ORR), as an cathode half reaction in fuel cells, limits the efficiency in fuel cells, owing to its slow reaction kinetics process. The traditional Pt catalyst is the most effective catalyst to promote the ORR, but its practical application is limited by poor stability, high cost, and scarcity.…”

“…Fuel cells with clean and sustainable features have been considered as a promising candidate to overcome the energy crisis caused by the continuous consumption of non‐renewable fossil fuels. Therefore, the development of high‐performance fuel cells has received widespread attention [1–3] . However, oxygen reduction reaction (ORR), as an cathode half reaction in fuel cells, limits the efficiency in fuel cells, owing to its slow reaction kinetics process.…”