材料科学
纳米片
催化作用
氧气
密度泛函理论
双金属片
分子
氧化物
纳米技术
无机化学
金属
计算化学
有机化学
化学
冶金
作者
Liyun Wu,Qilong Wu,Yun Han,Dongdong Zhang,Rongrong Zhang,Nan Song,Xiaofeng Wu,Jianrong Zeng,Pei Yuan,Jun Chen,Aijun Du,Keke Huang,Xiangdong Yao
标识
DOI:10.1002/adma.202401857
摘要
-2) oxidizes C3 molecules to C1 molecules with selectivity of almost 100% and a Faradaic efficiency of ≈99%, showing the best oxidation performance among all the modified catalysts. Systems with multiple oxygen vacancies in close proximity to each other synergistically facilitate the cleavage of C─C bonds. Density functional theory calculations confirm the ability of closely spaced oxygen vacancies to facilitate charge transfer between the catalyst and several key glycolic-acid (GCA) intermediates of the GOR process, thereby facilitating the decomposition of C2 intermediates to C1 molecules. This study reveals qualitatively in tuning the density of oxygen vacancies for altering the reaction pathway of GOR by the synergistic effects of spatial proximity of high-density oxygen vacancies.
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