Catalyst design relies heavily on electronic metal-support interactions, but the metal-support interface with an uncontrollable electronic or coordination environment makes it challenging. Herein, we outline a promising approach for the rational design of catalysts involving heteroatoms as anchors for Pd nanoparticles for ethanol oxidation reaction (EOR) catalysis. The doped B and N atoms from dimethylamine borane (DB) occupy the position of the Ti₃C₂ lattice to anchor the supported Pd nanoparticles. The electrons transfer from the support to B atoms, and then to the metal Pd to form a stable electronic center. A strong electronic interaction can be produced and the d-band center can be shifted down, driving Pd into the dominant metallic state and making Pd nanoparticles deposit uniformly on the support. As-obtained Pd/DB–Ti₃C₂ exhibits superior durability to its counterpart (∼14.6% retention) with 91.1% retention after 2000 cycles, placing it among the top single metal anodic catalysts. Further, in situ Raman and density functional theory computations confirm that Pd/DB–Ti₃C₂ is capable of dehydrogenating ethanol at low reaction energies.

中文翻译：

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通过双原子共掺杂实现 Pd/MXene 的局部配位和电子相互作用，具有卓越的耐久性，可有效实现电催化乙醇氧化

催化剂设计在很大程度上依赖于电子金属-载体相互作用，但具有不可控电子或配位环境的金属-载体界面使其具有挑战性。在此，我们概述了一种合理设计催化剂的方法，该催化剂涉及杂原子作为乙醇氧化反应（EOR）催化的 Pd 纳米颗粒的锚定物。_{来自二甲胺硼烷 (DB) 的掺杂 B 和 N 原子占据 Ti 3} C ₂晶格的位置以锚定负载的 Pd 纳米颗粒。电子从载体转移到B原子，然后转移到金属Pd，形成稳定的电子中心。可以产生强电子相互作用，d带中心下移，驱动Pd进入主导金属态，使Pd纳米颗粒均匀沉积在载体上。所获得的 Pd/DB-Ti ₃ C ₂表现出优于其对应物的耐久性（~14.6% 保留率），2000 次循环后保留率为 91.1%，使其跻身顶级单一金属阳极催化剂之列。此外，原位拉曼和密度泛函理论计算证实Pd/DB-Ti ₃ C ₂能够在低反应能量下使乙醇脱氢。