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Molecular enhancement of platinum electrocatalysts for hydrogen evolution

Li-Ming Cao, Chun-Ting He*

https://doi.org/10.1016/j.cjsc.2025.100814

ABSTRACT

In summary, this work presents a strategy to enhance the HER activity by modifying Pt electrodes with overlayer of p-conjugated organic molecules. These molecules strongly adsorb on the Pt surface, significantly enhancing HER activity in alkaline medium. Mechanistic investigations reveal that the adsorbed layer optimizes reaction kinetics by lowering the d-band center of surface Pt atoms and weakening the HBE. There is no doubt that the research on molecule-enhanced electrocatalysis is still in its infancy, however, these recent positive advances not only establish organic molecular modification as a viable alternative to conventional elemental doping, but more importantly, elevate it from an empirical practice to a predictable and designable theoretical framework through gradually uncovering the molecular enhancement mechanism. Future work should focus on exploring more diverse molecular systems, such as incorporating strongly-adsorbing thiol molecules or highly stable phosphonates. Systematic comparison of how these distinct molecules interact with metal surfaces will yield deeper insights into structure-property relationships, thereby broadening our research perspectives. Although there are still many issues to be addressed in the future, such as the specific bonding modes between organic molecules and metals, the regulation mechanism of functional groups, the dynamic evolution of molecule-metal interface, and the electrochemical stability of organic molecules, it is certain that a completely new door has been opened up for the development of efficient, low-cost, and customizable electrocatalysts.

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