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Nanocomposites between transition metal oxide and carbon materials have been well recognized as the promising OER catalysts. It is believed that the outstanding activity of the nanocomposites is due to the synergetic effect between the oxides and carbon. However, the mechanism of this synergetic effect is not clear. In this work, with the help of sophisticated first-principle simulation, it is revealed...
Efficient and durable catalysts towards oxygen evolution reaction (OER) are highly desirable for renewable energy technologies. Herein, we develop a new, efficient, economical and durable Ta2O5 OER catalyst by controlling oxygen environment to induce the active OER catalytic surface. Stable surface structures of Ta2O5 and their onset overpotentials towards OER are calculated via systematic DFT simulations...
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