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Strain Regulation to Optimize the Acidic Water Oxidation Performance of Atomic-Layer IrO_x

机译:调节应变以优化原子层IrO_x的酸性水氧化性能

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Strain regulation has become an important strategy to tune the surface chemistry and optimize the catalytic performance of nanocatalysts. Herein, the construction of atomic-layer IrOx on IrCo nanodendrites with tunable Ir Symbol of the Klingon Empire O bond length by compressive strain effect for oxygen evolution reaction (OER) in acidic environment is demonstrated. Evidenced from in situ extended X-ray absorption fine structure, it is shown that the compressive strain of the IrOx layer on the IrCo nanodendrites decreases gradually from 2.51% to the unstrained state with atomic layer growth (from approximate to 2 to approximate to 9 atomic layers of IrOx), resulting in the variation of the Ir Symbol of the Klingon Empire O bond length from shortened 1.94 angstrom to normal 1.99 angstrom. The approximate to 3 atomic-layer IrOx on IrCo nanodendrites with an Ir Symbol of the Klingon Empire O bond length of 1.96 angstrom (1.51% strain) exhibits the optimal OER activity compared to the higher-strained (2.51%, approximate to 2 atomic-layer IrOx) and unstrained (>6 atomic-layer IrOx) counterparts, with an overpotential of only 247 mV to achieve a current density of 10 mA cm(-2). Density functional theory calculations reveal that the precisely tuned compressive strain effect balances the adsorbate-substrate interaction and facilitates the rate-determining step to form HOO*, thus assuring the best performance of the three atomic-layer IrOx for OER.
机译:应变调节已成为调节表面化学和优化纳米催化剂的催化性能的重要策略。在本文中,通过在酸性环境中利用氧释放反应(OER)的压缩应变效应,在具有可调谐Ir符号的克林贡帝国O键长度的Ir符号的IrCo纳米枝晶上构造了原子层IrOx。从原位扩展X射线吸收精细结构可以看出,随着原子层的生长,IrCo纳米枝晶上的IrOx层的压缩应变从2.51%逐渐减小到非应变状态(从大约2到大约9原子)层,导致克林贡帝国O键长度的Ir符号从缩短的1.94埃变化到正常的1.99埃。与克林贡帝国O键长为1.96埃(应变为1.51%)的Ir符号的IrCo纳米枝晶上的大约3个原子层IrOx相比,高应变(2.51%,近似为2个原子-层(IrOx)和无应变(> 6原子层IrOx)对应物,其超电势仅为247 mV,以实现10 mA cm(-2)的电流密度。密度泛函理论计算表明,精确调整的压缩应变效应平衡了吸附物与底物之间的相互作用,并促进了确定HOO *的速率确定步骤,从而确保了三层原子层IrOx用于OER的最佳性能。

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