The low-palladium Pd/TaN–C catalyst is synthesized by a surfactant-free solvothermal approach and exhibits high activity (2613.18 mA mg_Pd⁻¹), durability and CO tolerance for MOR (methanol oxidation reaction) in alkaline media, 12.4 folds that of the commercial Pd/C. XPS and electrochemical results indicate that the interfacial Pd–TaNO bond is generated. This also brings the enhancement of OH_ad adsorption responsible for anti-CO poisoning ability. Density Functional Theory (DFT) calculations indicate that the reaction pathway and the rate-determining step are changed for methanol decomposition to CO on the Pd₄/TaN(001) surface compared with Pd (111). The preferred pathway can be described as: CH₃OH→CH₃O→CH₂O→CHO→CO. Furthermore, the results indicate that the adsorption of OH is enhanced and the energy barrier of COOH formation from CO + OH is reduced with the high concentration of hydroxyl on the Pd₄/TaN(001) surface, further confirming the bi-functional effect of hydroxyl on the CO tolerance.

低钯 Pd/TaN-C 催化剂是通过无表面活性剂的溶剂热法合成的，在碱性介质中对 MOR（甲醇氧化反应）表现出高活性（2613.18 mA mg _Pd ^-1）、耐久性和 CO 耐受性，是其 12.4 倍商业 Pd/C。XPS 和电化学结果表明生成了界面 Pd-TaNO 键。这也带来了负责抗 CO 中毒能力的 OH _ad吸附的增强。密度泛函理论 (DFT) 计算表明，与 Pd (111) 相比，Pd ₄ /TaN(001) 表面上甲醇分解为 CO 的反应途径和速率决定步骤发生了变化。优选途径可描述为：CH ₃ OH→CH ₃O→CH ₂ O→CHO→CO。此外，结果表明，随着 Pd ₄ /TaN(001) 表面上高浓度的羟基，OH 的吸附增强，CO + OH 形成 COOH 的能垒降低，进一步证实了双功能效应羟基对 CO 耐受性的影响。