四元 Cu2O 晶面结中前所未有的双串并联光电荷分离的机理研究,Advanced Functional Materials

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四元 Cu2O 晶面结中前所未有的双串并联光电荷分离的机理研究
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2022-03-18 , DOI: 10.1002/adfm.202111528
Jie Cui ₁ , Xin Zhang ₁ , Hongwei Huang ₂ , Man Yang ₁ , Bian Yang ₁ , Qing Yang ₁ , Shuhua Liang ₁ , Shaodong Sun ₁

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揭示单晶光催化剂中各向异性晶面的贡献仍然是基础研究中的一个挑战。_{在这里，展示了多面体Cu 2} O中与小面结相关的光电荷分离的潜在机制，这有助于理解为什么50面Cu ₂ O表现出四元{100}/{110}/{111}/{522}小面结与表现出三元{100}/{110}/{111}的26面Cu ₂ O和表现出二元{100}/{110}晶面结的18面Cu ₂ O相比，对四环素具有增强的光降解活性。密度泛函理论 (DFT) 计算和选择性光沉积结果证实，分层小平面结是在 50 面铜中形成的₂ O，可视为二元{110}/{111}与三元{110}/{522}/{100}串联小平面结导带最小的一个并联，二元{100}之间的另一个并联/{522} 和三元 {111}/{110}/{522} 系列晶面结实现价带最大值，从而形成前所未有的双串并联传输路径，从而更有效地改善光电荷分离。希望这项研究能为目前专注于多面体光催化剂晶面结工程的科学研究人员提供有益的指导。

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Mechanism Insight into an Unprecedented Dual Series-Parallel Photocharge Separation in Quaternary Cu2O Facet Junctions

Uncovering the contribution of anisotropic crystal facets in single-crystalline photocatalysts is still a challenge in fundamental study. Here, the mechanism underlying facet junction-dependent photocharge separation in polyhedral Cu₂O is demonstrated, which is beneficial for understanding why 50-faceted Cu₂O exhibiting quaternary {100}/{110}/{111}/{522} facet junction possesses an enhanced photodegradation activity toward tetracycline than that of the 26-faceted Cu₂O exhibiting ternary {100}/{110}/{111} and 18-faceted Cu₂O exhibiting binary {100}/{110} facet junction. Density functional theory (DFT) calculations and selective photodeposition results confirm that hierarchical facet junctions are formed in a 50-faceted Cu₂O, which could be regarded as one parallel connection between binary {110}/{111} and ternary {110}/{522}/{100} series facet junction for conduction band minimum, and another parallel connection between binary {100}/{522} and ternary {111}/{110}/{522} series facet junction for valence band maximum, leading to an unprecedented dual series-parallel transfer pathway for more efficiently improved photocharge separation. Hopefully, this study would be a beneficial guideline for scientific researchers currently concentrating on the facet junction engineering of polyhedral photocatalysts.

更新日期：2022-03-18

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