铑
杂原子
氢
反应性(心理学)
材料科学
Atom(片上系统)
平面(几何)
化学物理
密度泛函理论
纳米技术
结晶学
化学
催化作用
计算化学
几何学
戒指(化学)
医学
生物化学
替代医学
数学
有机化学
病理
计算机科学
嵌入式系统
作者
Xiangyu Meng,Chao Ma,Luozhen Jiang,Rui Si,Xianguang Meng,Yunchuan Tu,Liang Yu,Xinhe Bao,Dehui Deng
标识
DOI:10.1002/ange.202003484
摘要
Abstract Perturbing the electronic structure of the MoS 2 basal plane by confining heteroatoms offers the opportunity to trigger in‐plane activity for the hydrogen evolution reaction (HER). The key challenge consists of inducing the optimum HER activity by controlling the type and distribution of confined atoms. A distance synergy of MoS 2 ‐confined single‐atom rhodium is presented, leading to an ultra‐high HER activity at the in‐plane S sites adjacent to the rhodium. By optimizing the distance between the confined Rh atoms, an ultra‐low overpotential of 67 mV is achieved at a current density of 10 mA cm −2 in acidic solution. Experiments and first‐principles calculations demonstrate a unique distance synergy between the confined rhodium atoms in tuning the reactivity of neighboring in‐plane S atoms, which presents a volcanic trend with the inter‐rhodium distance. This study provides a new strategy to tailor the activity of MoS 2 surface via modulating the distance between confined single atoms.
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