With the accelerated process of industrial modernization, the continuous emission of CO 2
seriously disrupts the natural carbon balance and contributes to global warming. To reverse …

The application of density functional theory (DFT) methods in catalysis has been fast
growing in the last decades thanks to both the availability of more powerful high computing …

Artificial photocatalysis represents a hopeful avenue for tackling the global crisis of
environmental and energy sustainability. The crux of industrial application in photocatalysis …

Single atom catalysts (SACs) have received great attention due to their promising catalytic
activity and sustainability. In this regard, the catalytic activity toward CO 2 conversion …

Electrocatalytic CO2 reduction to fuels powered by renewable electricity is a potential clean
strategy to replace fossil fuels and address climate change caused by increasing CO2 …

Obtaining chemicals and fuels from the reduction of carbon dioxide (CO2) represents a
promising strategy to mitigate the growing greenhouse gas emissions. Because of the high …

The emergence of single atom sites as a frontier research area in catalysis has sparked
extensive academic and industrial interest, especially for energy, environmental and …

The CO 2 fixation into epoxide to produce cyclic carbonate is a promising route to realize the
large-scale utilization of CO 2. In this work, a detailed DFT investigation has been carried out …

Abstract Two-dimensional (2D) electrides, with electrons confined in interlayer spaces
instead of at atomic proximities, have received considerable attention due to their exotic …

The utilization of CO2 as building block for the production of cyclic carbonate is a promising
route to simultaneously mitigate the global warming issue and obtain valuable commercial …