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Electrochemical reduction of CO2 to CO is a promising strategy. However, achieving high Faradaic efficiency with high current density using ILs electrolyte remains a challenge. In this study, the IL N octyltrimethyl 1,2,4 triazole ammonium shows outstanding performance for electrochemical reduction of CO2 to CO on the commercial Ag electrode, and the current density can be up to 50.8 mA cm-2 with a Faradaic efficiency of 90.6%. The current density of CO is much higher than those reported in the ILs electrolyte. In addition, the density functional theory calculation further proved that IL interacts with CO2 to form IL CO2 complex which played a key role in reducing the activation energy of CO2. According to the molecular orbital theory, the electrons obtained from ILs was filled in the anti bonding orbit of the CO2, resulting in reducing the C=O bond energy. This work provides a new strategy to design novel ILs for high efficiency electrochemical reduction of CO2 to CO.
The search for earth abundant, efficient and stable electrocatalysts that can enable the chemical reduction of CO2 to value-added chemicals and fuels at an industrially relevant scale, is a high priority for the development of a global network of ren
The CO_{2} electro-reduction reaction (CORR) is a promising avenue to convert greenhouse gases into high-value fuels and chemicals, in addition to being an attractive method for storing intermittent renewable energy. Although polycrystalline Cu surfa
Combining first-principles density functional theory simulations with IR and Raman experiments, we determine the frequency shift of vibrational modes of CO2 when physiadsorbed in the iso-structural metal organic framework materials Mg-MOF74 and Zn-MO
Regression machine learning is widely applied to predict various materials. However, insufficient materials data usually leads to a poor performance. Here, we develop a new voting data-driven method that could generally improve the performance of reg
Pairing of $pi$ electronic state structures with functional or metallic atoms makes them possible to engineer physical and chemical properties. Herein, we predict the reorientation of magnetization of Co on hexagonal BN (h-BN) and graphene multilayer