选择性
催化作用
法拉第效率
化学
亚稳态
密度泛函理论
乙醇
键裂
金属
电子转移
硫黄
电催化剂
钯
光化学
电子效应
电化学
过渡金属
燃料电池
无机化学
氧化还原
电流密度
反应中间体
氧气
作者
Xiaowen Gu,Yu Liang,Pengcheng Zhao,张欣烨,Wei Liu,Chenyu Cui,Zihao Xing,Shangqian Zhu,Jinfa Chang
摘要
ABSTRACT Direct ethanol fuel cells (DEFCs) are hampered by sluggish C─C bond cleavage and CO poisoning during ethanol electrooxidation on Pd catalysts. Selective oxidation to acetate through the C 2 pathway circumvents CO formation, yet achieving near‐exclusive C 2 selectivity remains challenging. Herein, we report a nitrogen‐doping‐induced expansion strategy that converts bulk 2H‐MoS 2 into a metastable 1T‐rich MoS 2‐x support (NTMS x ) with enlarged interlayer spacing and abundant sulfur vacancies. Conductive 1T domains preferentially anchor Pd nanoparticles, creating an “island‐sea” architecture that fosters pronounced electronic metal‐support interaction (EMSI). Electron transfer from NTMS x to Pd generates electron‐rich Pd sites that weaken CO adsorption, while sulfur vacancies enhance hydroxyl adsorption. These synergistic effects steer ethanol electrooxidation toward the C 2 ‐4e pathway and suppress CO formation. DFT calculations confirm favorable energetics for the C 2 pathway on Pd/NTMS x . The catalyst delivers a high current density and 95.7% Faradaic efficiency for acetate of high added value, with no detectable CO intermediates and outstanding durability. In DEFCs, it achieves a maximum power density of 0.68 W cm −2 and operates stably for over 500 h. This work establishes confined interfacial anchoring on phase‐engineered metal dichalcogenides as a rational design principle for achieving high pathway selectivity in multielectron electrocatalysis.
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