石墨氮化碳
光催化
半导体
制氢
密度泛函理论
氢
化学工程
化学
可转让性
材料科学
纳米技术
光电子学
催化作用
计算化学
计算机科学
有机化学
机器学习
工程类
罗伊特
生物化学
作者
Huanhuan Li,Yong Wu,Can Li,Yinyan Gong,Lengyuan Niu,Xinjuan Liu,Qing Jiang,Chang Q. Sun,Shiqing Xu
标识
DOI:10.1016/j.apcatb.2019.03.079
摘要
Abstract Photocatalytic efficiency of graphitic carbon nitride (g–C3N4) has been hindered by fast carrier recombination and high reaction energy barriers, which can be improved by combining a semiconductor with a large work function. Based on this strategy, we synthesized a novel Pt/t–ZrO2/g–C3N4 composite by integrating g–C3N4 with tetragonal ZrO2 and Pt nanoparticles. Results of experimental measurements and density functional theory simulation demonstrate that the carrier lifetime, transferability and energy barriers of catalysts depend on their work function. The optimal composite exhibits an extraordinary catalytic ability for hydrogen generation of 722.5 μmol(gh)−1 and solar–to–hydrogen energy conversion efficiency of 0.215% under visible–light irradiation, and high catalytic stability. The modification strategy could be applied to designing various different high–efficient catalysts by selecting semiconductors with suitable work functions.
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