Theoretical insights into the mechanism of selective nitrate‐to‐ammonia electroreduction on single‐atom catalysts
Selective nitrate‐to‐ammonia electrochemical conversion is an efficient pathway to solve the
pollution of nitrate and an attractive strategy for low‐temperature ammonia synthesis …
pollution of nitrate and an attractive strategy for low‐temperature ammonia synthesis …
Effective Approaches for Designing Stable M–Nx/C Oxygen‐Reduction Catalysts for Proton‐Exchange‐Membrane Fuel Cells
The large‐scale commercialization of proton‐exchange‐membrane fuel cells (PEMFCs) is
extremely limited by their costly platinum‐group metals (PGMs) catalysts, which are used for …
extremely limited by their costly platinum‐group metals (PGMs) catalysts, which are used for …
Synergy of dual-atom catalysts deviated from the scaling relationship for oxygen evolution reaction
C Fang, J Zhou, L Zhang, W Wan, Y Ding… - Nature …, 2023 - nature.com
Dual-atom catalysts, particularly those with heteronuclear active sites, have the potential to
outperform the well-established single-atom catalysts for oxygen evolution reaction, but the …
outperform the well-established single-atom catalysts for oxygen evolution reaction, but the …
Fe–N–C boosts the stability of supported platinum nanoparticles for fuel cells
The poor durability of Pt-based nanoparticles dispersed on carbon black is the challenge for
the application of long-life polymer electrolyte fuel cells. Recent work suggests that Fe-and N …
the application of long-life polymer electrolyte fuel cells. Recent work suggests that Fe-and N …
Computational Screening Single-Atom Catalysts Supported on g-CN for N2 Reduction: High Activity and Selectivity
It remains a great challenge to design efficient electrocatalysts for nitrogen reduction
reaction (NRR) with high activity and high selectivity. Herein, density functional theory …
reaction (NRR) with high activity and high selectivity. Herein, density functional theory …
Unravelling the origin of bifunctional OER/ORR activity for single-atom catalysts supported on C 2 N by DFT and machine learning
Designing high-performance bifunctional oxygen evolution/reduction reaction (OER/ORR)
catalysts is a newly emerging topic and these catalysts have wide applications in metal–air …
catalysts is a newly emerging topic and these catalysts have wide applications in metal–air …
Single-Atom Rhodium on Defective gC3N4: A Promising Bifunctional Oxygen Electrocatalyst
It is highly desirable to design bifunctional electrocatalysts to realize highly efficient oxygen
evolution/reduction reaction (OER/ORR). Herein, density functional theory (DFT) …
evolution/reduction reaction (OER/ORR). Herein, density functional theory (DFT) …
A Feasible Strategy for Identifying Single‐Atom Catalysts Toward Electrochemical NO‐to‐NH3 Conversion
Combining NO removal and NH3 synthesis, electrochemical NO reduction reaction (NORR)
toward NH3 is considered as a novel and attractive approach. However, exploring suitable …
toward NH3 is considered as a novel and attractive approach. However, exploring suitable …
Fe/Cu diatomic sites dispersed on nitrogen-doped mesoporous carbon for the boosted oxygen reduction reaction in Mg-air and Zn-air batteries
W Zhang, B Feng, L Huang, Y Liang, J Chen… - Applied Catalysis B …, 2024 - Elsevier
The sluggish catalytic kinetics of oxygen reduction reaction (ORR) on cathodes seriously
impedes the widespread application of Mg-air and Zn-air batteries. Herein, this obstacle is …
impedes the widespread application of Mg-air and Zn-air batteries. Herein, this obstacle is …
Machine-Learning-Accelerated Catalytic Activity Predictions of Transition Metal Phthalocyanine Dual-Metal-Site Catalysts for CO2 Reduction
The highly active and selective carbon dioxide reduction reaction (CO2RR) can generate
valuable products such as fuels and chemicals and reduce the emission of greenhouse …
valuable products such as fuels and chemicals and reduce the emission of greenhouse …