纳米材料
电化学
纳米颗粒
催化作用
位错
材料科学
密度泛函理论
纳米技术
拉伤
极限抗拉强度
分子动力学
抗压强度
应变率
化学物理
化学工程
化学
复合材料
电极
物理化学
计算化学
医学
生物化学
内科学
工程类
作者
Junpeng Wang,Ké Li,Longfei Guo,Bowei Pan,Tao Jin,Zhen Li,Quan Tang,Fuyi Chen
标识
DOI:10.1002/sstr.202300169
摘要
Although line defects endow excellent catalytic performance by undercoordinated sites with compressive tensile strain, few studies have systematically unraveled the relationship between dislocation, strain, and electrochemical activity for formate oxidation reactions (FOR). Herein, a novel approach for synthesizing defect‐rich nanomaterials at room temperature is proposed for the first time. The heated and dealloyed AgPd nanoparticles (hd‐AgPd NPs) substantially improve the intrinsic electrocatalytic activity by introducing compressive strain to tune its electronic structure. Electrochemical experiments show that the mass activity of hd‐AgPd NPs for FOR is 5.3 times higher than that of pure Pd nanoparticle catalysts. Following a 3600 s chronoamperometric process, a portion of the dislocation vanishes, but the strain persists on the AgPd (111) facet. The mechanisms for activity enhancement are further explored through density functional theory and molecular dynamics calculations, which show that compressive strain effectively alters its electronic structure and decreases the energy of the rate‐determining step during the reaction, significantly enhancing the FOR performance and stability. The results of electrochemical performance and physical characterization show that lattice strain has a more significant impact on FOR performance than alloying and preoxidation. This study presents a new approach to produce high‐performance catalysts by inducing strain into nanoparticles.
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