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Modulation rate on adsorption and catalysis of 2D Pt: the effects of adsorbate-induced surface stress

机译：对2D PT的吸附和催化的调节速率：吸附物诱导的表面应力的影响

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Recently, it has been reported for ultrathin 2D metals that positive surface stress of a clean surface (τ1) can induce considerable compressive lattice strain towards optimized adsorption energy and catalytic properties (L. Wang et al., Science, 2019, 363, 870). We report negative surface stress (τ2) induced by adsorbates at finite coverage counteracting the effects of τ1, by studying the hydrogen adsorption properties and hydrogen evolution reaction (HER) catalysis performance of 2D Pt. Due to the competition between τ1 and τ2, the resultant lattice strain of 2D Pt is small. Consequently, modulation speed in adsorption energy and Tafel reaction barriers is significantly reduced as the Pt slab thickness decreases. Our study highlights the importance of properly including the effects of τ2 in predicting and understanding the catalytic properties of 2D metals when coverage of adsorbates is high.
机译：最近，据报道，对于超薄2D金属，清洁表面的正表应力（τ1）可以诱导相当大的压缩晶格应变，以优化吸附能和催化特性（L. Wang等，Science，2019，363，870） 。 我们通过研究2D PT的氢吸附性能和氢进化反应（HER）催化性能，报告了有限覆盖范围来抵消τ1效果的吸附物引起的负面应力（τ2）。 由于τ1和τ2之间的竞争，因此2D PT的晶格应变很小。 因此，随着PT平板厚度的降低，吸附能和TAFEL反应屏障的调节速度显着降低。 我们的研究强调了正确的重要性，包括τ2在预测和理解2D金属的催化特性时的影响，当吸附物的覆盖范围很高时。

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