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We investigate the surface plasmon resonances (SPRs) behavior of silver niobate (AgNbO3) experimentally and theoretically. Result shows that the localized SPRs (LSPRs) of AgNbO3 combining with its interband transitions enlarge the absorption band across the whole ultravioletvisible range. The LSPRs behavior in visible-light is mainly ascribed to the metal-like state of silver ion and self-assembled microstructures of AgNbO3 microcrystal. The ab initio density functional theory calculations are carried out to obtain the further insight of the SPRs behaviors. Theoretical study indicates that the Ag atoms are weakly bound in the perovskite structure, leading to a metal-like state, which was the key factor to SPRs behavior of AgNbO3. [ABSTRACT FROM AUTHOR]

Based on the density functional theory with generalized gradient approximation, the adsorption behavior and optical properties of H 2 O molecules on the surface of VO 2 and Pt loaded on the VO 2 surface were calculated. The calculation results show that the adsorption energy of H 2 O molecules on the surface of VO 2 is − 0.39 eV, the bond length and bond angle of H 2 O molecules have not changed significantly, and the adsorption of H 2 O molecules on VO 2 is physisorption. Further research shows that the adsorption energy of H 2 O molecules on the surface of Pt / VO 2 is − 1.76 eV, and the bond angle of H 2 O molecules on the surface of Pt / VO 2 has changed significantly, increasing by 4 °. The results show that H 2 O molecules adsorption on the surface of Pt / VO 2 is chemisorption. Subsequently, we calculated the optical properties of the entire system and found that its light absorption capacity in the visible light region is ranked as follows: VO 2 + Pt + H 2 O > --> VO 2 + Pt > --> VO 2 + H 2 O > --> VO 2. Our results demonstrate that Pt loaded on the VO 2 surface not only affects the adsorption behavior of VO 2 , but also significantly modifies the electronic structure by generating impurity-derived states. Our results provide a reference for further study of the optical properties of VO 2 and the dissociation reaction of H 2 O molecules. [ABSTRACT FROM AUTHOR]

We investigate the surface plasmon resonances (SPRs) behavior of silver niobate (AgNbO3) experimentally and theoretically. Result shows that the localized SPRs (LSPRs) of AgNbO3 combining with its interband transitions enlarge the absorption band across the whole ultravioletvisible range. The LSPRs behavior in visible-light is mainly ascribed to the metal-like state of silver ion and self-assembled microstructures of AgNbO3 microcrystal. The ab initio density functional theory calculations are carried out to obtain the further insight of the SPRs behaviors. Theoretical study indicates that the Ag atoms are weakly bound in the perovskite structure, leading to a metal-like state, which was the key factor to SPRs behavior of AgNbO3. [ABSTRACT FROM AUTHOR]