Artificial Z-scheme, a tandem structure with two-step excitation process, has gained significant attention in energy production and environmental remediation. By effectively connecting and matching the band-gaps of two different photosystems, it is significant to utilize more photons for excellent photoactivity. Herein, a novel one-photon (same energy-two-photon) Z-scheme system is constructed between rGO modified boron-nitrogen co-doped-WO 3 , and coupled CdSe quantum dots-(QDs). The coctalyst-0.5%Rh x Cr 2 O 3 (0.5RCr) modified amount-optimized sample 6%CdSe/1%rGO3%BN-WO 3 revealed an unprecedented visible-light driven overall-water-splitting to produce ≈51 μmol h −1 g −1 H 2 and 25.5 μmol h −1 g −1 O 2 , and it remained unchanged for 5 runs in 30 h. This superior performance is ascribed to the one-photon Z-scheme, which simultaneously stimulates a two photocatalysts system, and enhanced charge separation as revealed by various spectroscopy techniques. The density-functional theory is further utilized to understand the origin of this performance enhancement. This work provides a feasible strategy for constructing an efficient one-photon Z-scheme for practical applications.
Herein, the physisorption mechanisms of , , , and molecules on alumina and their effect on electronic properties are investigated. Quantum–classical molecular dynamics simulations and the self‐consistent‐charge density‐functional tight‐binding approach are used to dynamically model these mechanisms. Herein, the binding pathways of O, H, and C atoms in the various molecules to Al and O atoms at the top atomic layers of the ‐alumina surface are revealed by the results. Several adsorption sites and molecular orientations relative to Al‐terminated and Ox‐terminated alumina surfaces are examined and it is found that the most stable physisorbed state on the Al‐terminated surface is located above the Al atom, while the Ox‐terminated state is found above the oxygen, resulting in enhanced optical adsorbance. The dissociation of into after interaction with the surface results in hydrogen production, but with low adsorbate rates, while molecules primarily bond to the Al atoms, leading to the highest adsorbance rate among the other molecules. Herein, important insights are provided by the findings into the physisorption mechanisms of molecules on alumina and their impact on electronic properties.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.