Novel sunlight driven photocatalysts for water splitting from first principles calculations

来源 :第十二届全国量子化学会议 | 被引量 : 0次 | 上传用户:xiaocai
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  As an ultimate clean energy,hydrogen produced by photocatalytic water splitting using solar energy plays an important role in solving energy and environmental problems.The key of solar hydrogen production is to develop photocatalysts active under visible light or even infrared light.Traditional photocatalysts are discovered in metal oxides,sulfides and nitrides with d0 or d10 transition metal cations.Unfortunately,most of these catalysts are active only under UV irradiation,while others absorbing visible light either suffer stability problems during the reaction process,such as photocorrosion for metal sulfide photocatalyst,or the quantum yield is too low for practical use.Photocatalysts with sufficiently high productivity are not found yet.Searching for new efficient photocatalysts both from theoretical and experimental aspects is urgently needed.In my talk,I will introduce two of our recent works in this field:(1)A new metal-free visible-light active photocatalyst: semihydrogenated BN nanosheet;(2)A new photocatalytic system that can utilize infrared light: functionalized BN nanofilms.
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