Abstract In this work, we prepared the PtNi alloy nanoparticles on Al2O3 (Al2O3–PtNi) via a simple wet-grinding method followed by a thermal reduction process. The as-prepared Al2O3–PtNi displayed a higher TOF of 426.84 molH2 (molPt·min)−1 toward the dehydrogenation of AB (ammonia borane) than Al2O3–Pt and Al2O3–Ni. Based on the theoretical calculations, an “electric-dipole” effect generated by the neighboring Pt–Ni atoms was found to facilitate the catalytic dehydrogenation process of ammonia borane (AB). The external electric field produced by the Pt–Ni dipole can elongate the B–H bond and increase the negative charges of H atoms on the BH3 group, which helps to activate the B–H bond in the AB molecule, and thus enhances the kinetic process of catalysis.

中文翻译：

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Pt-Ni的“电偶极子”效应增强氨硼烷催化脱氢

摘要 在这项工作中，我们通过简单的湿磨法和热还原工艺在 Al2O3 (Al2O3-PtNi) 上制备了 PtNi 合金纳米粒子。与 Al2O3-Pt 和 Al2O3-Ni 相比，所制备的 Al2O3-PtNi 对 AB（氨硼烷）的脱氢显示出更高的 TOF，为 426.84 molH2 (molPt·min)-1。根据理论计算，发现相邻 Pt-Ni 原子产生的“电偶极子”效应有助于氨硼烷 (AB) 的催化脱氢过程。Pt-Ni偶极子产生的外电场可以拉长B-H键并增加BH3基团上H原子的负电荷，这有助于激活AB分子中的B-H键，从而增强动力学催化过程。