The interfacial modification of Pd nanoparticles supported on g-C₃N₄ (CN) was performed using highly dispersed amorphous MO_x phase, where M represents Ga, Al, or B. The resulting Pd@MO_x/CN exhibited enhanced activity in the hydrogenation of CO₂ to yield formic acid. In particular, Pd@GaO_x/CN displayed a maximum turnover number of 4540 based on the quantity of surface-exposed Pd atoms; this turnover number is more than six times higher than that of the unmodified catalyst. DFT calculations show that the presence of GaO_x clusters on the Pd(111) surface produces the unique Pd ensemble sites, where electron-deficient Pd^δ+ and electron-rich Pd^δ− are adjacent. On the basis of kinetic and theoretical investigations, we propose a reasonable dual activation mechanism: the electron-deficient Pd^δ+ species facilitates the adsorption of HCO₃⁻ ions, whereas the electron-rich Pd^δ− species accelerates not only H₂ dissociation but also the attack of dissociated H atoms on C atoms in HCO₃⁻ ions.

负载在g -C ₃ N ₄ (CN)上的 Pd 纳米颗粒的界面改性是使用高度分散的无定形 MO _x相进行的，其中 M 代表 Ga、Al 或 B。所得 Pd@MO _x /CN 在CO ₂加氢生成甲酸。特别是，基于表面暴露的 Pd 原子的数量，Pd@GaO _{x /CN 的最大转换数为 4540；}这个周转数是未改性催化剂的六倍多。DFT 计算表明，在 Pd(111) 表面上存在 GaO _x^{簇会产生独特的 Pd 集合位点，其中缺电子 Pd δ+}和富含电子的 Pd ^δ-相邻。在动力学和理论研究的基础上，我们提出了一种合理的双重活化机制：缺电子的 Pd ^δ+物质促进了 HCO ₃ ^-离子的吸附，而富电子的 Pd ^δ-物质不仅加速了 H ₂的解离，而且此外，HCO ₃ ^-离子中的离解 H 原子对 C 原子的攻击。