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首页> 外文期刊>Catalysis science & technology >Tunable photocatalytic water splitting and solar-to-hydrogen efficiency in beta-PdSe2 monolayer
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Tunable photocatalytic water splitting and solar-to-hydrogen efficiency in beta-PdSe2 monolayer

机译：可调光催化水分解solar-to-hydrogen beta-PdSe2效率单层

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摘要

Direct production of hydrogen from photocatalytic water splitting is a potential solution to overcome global energy crisis. Herein, based on first-principles calculations, we demonstrate that the two-dimensional beta-PdSe2 monolayer is a promising candidate for efficient photocatalytic water splitting in acidic and alkaline media as well as neutral medium with highly efficient solar-to-hydrogen efficiency. beta-PdSe2 monolayer shows low cleavage energy which endorses the possibility of its mechanical exfoliation from layered bulk beta-PdSe2. Remarkably, beta-PdSe2 monolayer is semiconducting with indirect band gap of 1.96 eV with perfect engulfing the redox potential of water in a wide range of pH of medium. beta-PdSe2 monolayer exhibits good light harvesting ability and adequate driving forces for water redox reaction in wide range of pH (0 to 12). Comprehensive investigation of pH dependent water splitting indicates that the beta-PdSe2 monolayer is a better candidate for efficient water splitting in alkaline media rather than acidic or neutral medium. In addition, high solar-to-hydrogen efficiency as high as similar to 17% is obtained that shows beta-PdSe2 monolayer a promising candidate for overall photocatalytic water-splitting.
机译：从光催化直接生产氢水分裂是一个潜在的解决方案解决全球能源危机。采用基于计算,我们将演示二维beta-PdSe2单层一个有前途的候选人为有效光催化水在酸性和分裂碱性媒体以及中性介质高效solar-to-hydrogen效率。beta-PdSe2单层显示低乳沟能量支持的可能性,其机械吗从分层散装beta-PdSe2剥落。值得注意的是,beta-PdSe2单层与间接带隙半导体1.96 eV与完美的席卷的氧化还原电势水的pH值范围广泛的媒介。单层展品良好的光收获能力和足够的水氧化还原的驱动力反应在广泛的pH值(0 - 12)。全面调查的pH值依赖于水分裂表明beta-PdSe2单层是一个更好的候选人高效水吗分裂而不是酸性或碱性媒体中立的媒介。solar-to-hydrogen效率高达相似显示beta-PdSe2获得17%单层有前途的候选人光催化水分解。

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