Abstract
The insufficient light sources absorption often limits photocatalyst applications of metal chalcogenides because of their excessively broad band gap. Thus, it is necessary to discover and design a compound with a rational band gap. Here, a new visible-light photocatalyst, Ba6Zn6HfS14, is prepared through a traditional high temperature solid-state reaction. A set of experiments on the visible-light decomposition of methylene blue demonstrated that the photocatalytic efficiency of Ba6Zn6HfS14 (0.00761 min–1) is improved, compared to that of Ba6Zn6ZrS14 (0.00553 min–1), which proved to be a previously reported visible-light photocatalyst with a similar structure. The UV–visible reflection spectra demonstrated that the energy gap of Ba6Zn6HfS14 (E1 = 1.45 eV; E2 = 2.55 eV) is smaller than that of Ba6Zn6ZrS14 (E1 = 1.78 eV; E2 = 2.50 eV; E3 = 2.65 eV). The Ba6Zn6HfS14 absorbs more visible light and exhibits preferably photocatalytic activity. The origin of split energy bands was elucidated via the first calcul...
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