The electrochemical CO2 reduction reaction towards value-added fuel and feedstocks often relies on metal-based catalysts. Organic molecular catalysts, which are more acutely tunable than metal catalysts, are still unable to catalyse CO2 to hydrocarbons under industrially relevant current densities for long...
*CO, *CHO and *(CO+H) were considered as key intermediates to simulate the CO2-to-methane reaction on catalyst surfaces. During all adsorption calculations, the top two layers were fully relaxed while the other layers were fixed at the tested lattice position. After comparing the hydrogenation...
product in the early stage of the reaction, at higher conversion both methylformate (the product of a Tishchenko-like dimerization of formaldehyde) and dimethoxymethane (formaldehyde dimethyl acetal) could eventually be detected in solution. No carbon monoxide or methane contaminants were detected in ...
Designing highly efficient electrocatalysts for electrochemical reduction of CO2(ERC) to value-added chemicals is a better approach to balance carbon emission. In this paper, through density functional theory (DFT) calculation, we study the catalytic performance of the catalyst supported on nitrogen-dope...
Leveraging on the experience gained by designing and assembling a prototype experimental apparatus reusing CO2 to produce methane in a reaction with H-2, we are developing an alternative innovative cost effective and contaminant resistant synthetic strategy based on the replacement of the solid phase ...
Ce0.96Ru0.04O2 and Ce0.95Ru0.05O2 perform best, converting 55% of CO2 with a 99% selectivity for methane, at a temperature of 450 °C. This is comparable to the best catalysts found previously for this reaction. Ce0.95Ru0.05O2 was characterized by XRD, electron microscopy, BET, XPS, IR...
近日,电子科技大学董帆教授在国际顶级期刊Angewandte Chemie International Edition上发表题为“Crystal plane is not the key factor for CO2-to-methane electrosynthesis on reconstructed Cu2O microparticles”的研究工作。作者采用电化学原位拉曼和原位表面增强红外光谱(SEIRAS)技术,并结合DFT理论计算揭示了原位重构形成的...
an effective synergy between the active Ni sites and surface oxygen vacancies on In2O3 causes a superior catalytic performance for CO2 hydrogenation with high methanol selectivity.Carbon monoxide is the only by product detected.The formation of methane can be ignored.When the reaction temperature is...
We found that MgO initiates the reaction by binding a CO2 molecule, forming a magnesium carbonate species on the surface, and that a supply of atomic H is essential for further hydrogenation of magnesium carbonate to methane. A CO2temperature-programmed desorption study gives credence to our ...
Electrochemical conversion of CO2 into value-added chemicals holds promise to enable the transition to carbon neutrality. Enhancing selectivity for a specific hydrocarbon product is challenging, however, due to numerous possible reaction pathways of CO2 electroreduction. Here we present a Cu–polyamine hyb...