The wide bandgap structure of 3.2 eV has made SrTiO3 (STO) well-known for its exclusive responsiveness to ultraviolet (UV) light. By anchoring Pd to the surface oxygen atoms of STO, we have successfully reduced the forbidden bandwidth of STO to 2.75 V, thereby extending its light absorption range to visible light. Simultaneously, trace amounts of low-valent Pd were distributed on the surface, significantly enhancing the photocatalytic hydrogen precipitation rate to 7366.07 μmol·g-1·h-1. This innovative approach led to the development of a novel nanocatalyst with numerous tailored active sites specifically designed for efficient photocatalytic hydrogen evolution. X-ray fine spectroscopy confirms Pd was successfully anchored to the STO surface and coordinated with surface O and the occurrence of Pd and Pd coordination at 2.0 Å from the Pd center in the R-space. Density functional theory (DFT) calculations further validate that anchoring Pd onto the STO surface reduces the free energy of adsorption for H* on these active sites. This discovery presents a promising strategy for immobilizing metal catalysts at perovskite STO’s unit sites.

中文翻译：

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SrTiO3 上 Pd 涂层促进析氢反应的催化增强


3.2 eV 的宽带隙结构使 SrTiO3 (STO) 因其对紫外 (UV) 光的独特响应而闻名。通过将Pd锚定到STO的表面氧原子上，我们成功地将STO的禁带宽度降低至2.75 V，从而将其光吸收范围扩展到可见光。同时，微量的低价Pd分布在表面，使光催化析氢速率显着提高至7366.07 μmol·g-1·h-1。这种创新方法导致了一种新型纳米催化剂的开发，该催化剂具有许多专门为高效光催化析氢而设计的定制活性位点。 X 射线精细光谱证实 Pd 成功锚定到 STO 表面并与表面 O 配位，并且在 R 空间中距 Pd 中心 2.0 Å 处发生 Pd 和 Pd 配位。密度泛函理论 (DFT) 计算进一步证实，将 Pd 锚定到 STO 表面会降低这些活性位点上 H* 的吸附自由能。这一发现提出了一种在钙钛矿 STO 单元位置固定金属催化剂的有前景的策略。