Emerging atomistic modeling methods for heterogeneous electrocatalysis

Z Levell, J Le, S Yu, R Wang, S Ethirajan… - Chemical …, 2024 - ACS Publications
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …

Optimizing Pt-based alloy electrocatalysts for improved hydrogen evolution performance in alkaline electrolytes: a comprehensive review

G Gao, G Zhu, X Chen, Z Sun, A Cabot - ACS nano, 2023 - ACS Publications
The splitting of water through electrocatalysis offers a sustainable method for the production
of hydrogen. In alkaline electrolytes, the lack of protons forces water dissociation to occur …

Revealing the role of interfacial water and key intermediates at ruthenium surfaces in the alkaline hydrogen evolution reaction

X Chen, XT Wang, JB Le, SM Li, X Wang… - Nature …, 2023 - nature.com
Ruthenium exhibits comparable or even better alkaline hydrogen evolution reaction activity
than platinum, however, the mechanistic aspects are yet to be settled, which are elucidated …

Hydrogen bond network connectivity in the electric double layer dominates the kinetic pH effect in hydrogen electrocatalysis on Pt

P Li, Y Jiang, Y Hu, Y Men, Y Liu, W Cai, S Chen - Nature Catalysis, 2022 - nature.com
The origin of the large kinetic pH effect in hydrogen electrocatalysis, that is, the
approximately two orders of magnitude decrease in reaction kinetics when moving from acid …

The role of alkali metal cations and platinum-surface hydroxyl in the alkaline hydrogen evolution reaction

AH Shah, Z Zhang, Z Huang, S Wang, G Zhong… - Nature Catalysis, 2022 - nature.com
The platinum-catalysed hydrogen evolution reaction (HER) generally shows poorer kinetics
in alkaline electrolyte and represents a key challenge for alkaline water electrolysis. In the …

Probing electrolyte effects on cation-enhanced CO2 reduction on copper in acidic media

ZM Zhang, T Wang, YC Cai, XY Li, JY Ye, Y Zhou… - Nature Catalysis, 2024 - nature.com
Tuning the properties of the electric double layer via cations is a recognized approach for
improving the efficiency of the CO2 reduction reaction (CO2RR). However, the mechanism …

Synergistic interactions between PtRu catalyst and nitrogen-doped carbon support boost hydrogen oxidation

W Ni, JL Meibom, NU Hassan, M Chang, YC Chu… - Nature Catalysis, 2023 - nature.com
Hydroxide exchange membrane fuel cell (HEMFC) is a potentially cost-effective energy
conversion technology. However, current state-of-the-art HEMFCs require a high loading of …

Revealing the role of double-layer microenvironments in pH-dependent oxygen reduction activity over metal-nitrogen-carbon catalysts

P Li, Y Jiao, Y Ruan, H Fei, Y Men, C Guo, Y Wu… - Nature …, 2023 - nature.com
A standing puzzle in electrochemistry is that why the metal-nitrogen-carbon catalysts
generally exhibit dramatic activity drop for oxygen reduction when traversing from alkaline to …

Diversity of platinum-sites at platinum/fullerene interface accelerates alkaline hydrogen evolution

J Chen, M Aliasgar, FB Zamudio, T Zhang… - Nature …, 2023 - nature.com
Membrane-based alkaline water electrolyser is promising for cost-effective green hydrogen
production. One of its key technological obstacles is the development of active catalyst …

Heteropoly acid negolytes for high-power-density aqueous redox flow batteries at low temperatures

F Ai, Z Wang, NC Lai, Q Zou, Z Liang, YC Lu - Nature Energy, 2022 - nature.com
Operating aqueous redox flow batteries (ARFBs) at low temperatures is prohibited by limited
solubility of redox-active materials, freezing electrolytes and sluggish reaction kinetics. Here …