Electronic And Optical Properties Of TiO2 Nanoclusters and Nanosheets Supported on Silicene

Faculty Sponsor

Haiying He


Arts and Sciences



Presentation Type

Poster Presentation

Symposium Date

Spring 5-3-2018


TiO2 is known to be widely used in photocatalytic and photovoltaic applications. TiO2 alone, however, still suffers from the low quantum efficiency due to the electron-hole recombination. Silicene, a 2D monolayer composed of Si atoms, is known to have higher chemical reactivity than graphene. It may be a viable substrate for TiO2. The high conductivity of silicene may help charge separation after the photoexcitation. The composite system of TiO2 and silicene may provide superior properties than the individual entities. In this study I am investigating different TiO2 nanoclusters and nanolayers and their interaction with silicene. The optical and electronic properties of the combined system of TiO2 and silicene were calculated using the Density Functional Theory (DFT). Preliminary results reveal that combined systems do show different characteristics.

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