解吸
材料科学
催化作用
兴奋剂
法拉第效率
离解(化学)
密度泛函理论
氧气
吸附
化学工程
电化学
物理化学
光电子学
电极
计算化学
化学
有机化学
工程类
作者
Paras Kalra,Dibyajyoti Ghosh,Pravin P. Ingole
标识
DOI:10.1021/acsami.3c04190
摘要
The electrochemical CO2 reduction reaction (ECO2RR) into value-added products is crucial to address the herculean task of CO2 mitigation. Several efforts are being made to develop active ECO2RR catalysts, targeting enhanced CO2 adsorption and activation. A rational design of ECO2RR catalysts with a facile product desorption step is seldom reported. Herein, ensuing the Sabatier principle, we report a strategy for an enhanced ECO2RR with a faradaic efficiency of 85% for CO production by targeting the product desorption step. The energy barrier for product desorption was lowered via a tailored electronic environment of oxygen vacancies (Ovac) in Cr-doped SrTiO3. The substitutional doping of Cr3+ for Ti4+ into the SrTiO3 lattice favors the generation of more Ovac and modifies the local electronic environment. Density functional theory analysis evinces the spontaneous dissociation of COOH# intermediates over Ovac and lower CO intermediate binding on Ovac reducing the energy demand for CO release due to Cr doping.
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