Local coordination and electronic interactions of Pd/MXene via dual‐atom codoping with superior durability for efficient electrocatalytic ethanol oxidation

Abstract 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.