电场
催化作用
Atom(片上系统)
极化(电化学)
静电学
化学物理
Boosting(机器学习)
材料科学
纳米技术
原子物理学
化学
物理
计算机科学
物理化学
量子力学
机器学习
嵌入式系统
生物化学
作者
Yanghang Pan,Xinzhu Wang,Weiyang Zhang,Lingyu Tang,Zhangyan Mu,Cheng Liu,Bailin Tian,Muchun Fei,Yamei Sun,Huanhuan Su,Libo Gao,Peng Wang,Xiangfeng Duan,Jing Ma,Mengning Ding
标识
DOI:10.1038/s41467-022-30766-x
摘要
Abstract Single-atom catalysts represent a unique catalytic system with high atomic utilization and tunable reaction pathway. Despite current successes in their optimization and tailoring through structural and synthetic innovations, there is a lack of dynamic modulation approach for the single-atom catalysis. Inspired by the electrostatic interaction within specific natural enzymes, here we show the performance of model single-atom catalysts anchored on two-dimensional atomic crystals can be systematically and efficiently tuned by oriented external electric fields. Superior electrocatalytic performance have been achieved in single-atom catalysts under electrostatic modulations. Theoretical investigations suggest a universal “onsite electrostatic polarization” mechanism, in which electrostatic fields significantly polarize charge distributions at the single-atom sites and alter the kinetics of the rate determining steps, leading to boosted reaction performances. Such field-induced on-site polarization offers a unique strategy for simulating the catalytic processes in natural enzyme systems with quantitative, precise and dynamic external electric fields.
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