Facet specific electron conduction in pentavalent (W5+) WO3 drives superior photocatalytic CO2 reduction in (002) plane

This article reports a concept of heat-induced topological modifications of non-layered WO 3 followed by successful synthesis of oxygen-vacant more-porous nanosheets with exposed active (002) facet. Experimental measurements and Density Functional Theory (DFT) calculations have revealed that the photoexcited electrons are found to accumulate preferentially on (002) facet to yield enhanced electron conduction, and consequently, strengthen the reduction potential as active catalytic sites for photocatalytic CO2 reduction. Owing to these beneficial properties, the more-porous nanosheets of WO 3 with (002) facet have exhibited superior performance than that of less-porous nanosheets of WO3 with (220) facet and bulk WO3 with (205) facet. This study therefore provides a new understanding of regulating physical, optical, and electronic properties through intricate atomic structure modulation of WO3, and may find widespread application in optoelectronics, sensors, and energy conversion.