Das Abinash, Liu Dongyu, Wary Riu Riu, Vasenko Andrey S, Prezhdo Oleg V, Nair Ranjith G
HSE University, 101000 Moscow, Russia.
PSG Institute of Advanced Studies, Coimbatore, Tamil Nadu 641004, India.
J Phys Chem Lett. 2023 Nov 2;14(43):9604-9611. doi: 10.1021/acs.jpclett.3c02730. Epub 2023 Oct 20.
Doping of zinc oxide (ZnO) with manganese (Mn) tunes midbandgap states of ZnO to enhance its optical properties and makes it into an efficient photoactive material for photoelectrochemical water splitting, waste removal from water, and other applications. We demonstrate that ZnO modified with 1 at. % Mn exhibits the best performance, as rationalized by experimental, structural, and optical characterization and theoretical analysis. ZnO doped with the optimal Mn content possesses improved light absorption in the visible region and minimizes charge carrier recombination. The doping is substitutional and creates midgap states near the valence band. Mn atoms break localized charge traps at oxygen vacancy sites and eliminate photoluminescence peaks associated with oxygen vacancies. The optimal performance of Mn-modified ZnO is demonstrated with the photodegradation of Congo red and photoelectrochemical water splitting.
用锰（Mn）对氧化锌（ZnO）进行掺杂可调节ZnO的带隙中间态，以增强其光学性能，并使其成为用于光电化学水分解、水中废物去除及其他应用的高效光活性材料。我们证明，用1原子%的Mn改性的ZnO表现出最佳性能，这通过实验、结构和光学表征以及理论分析得到了合理的解释。掺杂了最佳Mn含量的ZnO在可见光区域具有改善的光吸收，并使电荷载流子复合最小化。这种掺杂是替代型的，并在价带附近产生带隙中间态。Mn原子打破了氧空位处的局部电荷陷阱，并消除了与氧空位相关的光致发光峰。通过刚果红的光降解和光电化学水分解证明了Mn改性ZnO的最佳性能。
