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1.
Phys Chem Chem Phys ; 26(6): 5569-5578, 2024 Feb 07.
Artículo en Inglés | MEDLINE | ID: mdl-38284264

RESUMEN

The g-ZnO/Si9C15 heterojunction is designed, and its stability, electronic properties and photo-electro catalytic properties, and the impact of biaxial strain on the electronic and photocatalytic properties are investigated. The g-ZnO/Si9C15 heterojunction has a staggered (type-II) band structure (band gap is 1.770 eV), following the S-scheme mechanism. A high electron mobility of 5.113 × 103 cm2 V-1 s-1 and hole mobility of 3.324 × 104 cm2 V-1 s-1 are obtained in the zigzag and armchair directions, respectively. Suitable oxidation and reduction potentials are obtained such that photocatalytic water decomposition can occur at pH = 0-14, and the corrected solar to hydrogen (STH) efficiency is up to 35.4%. The absorption of visible light is enhanced, and the power conversion efficiency (PCE) is 15.1%. The electro-catalytic hydrogen evolution reaction (HER) is more likely to occur at the Si9C15 interface with a low over-voltage of 0.190 V. Under biaxial strain, due to the controllable band structure, the corrected STH efficiency and PCE increase to 42.7% and 16.7%, respectively. The heterojunction shows potential value in the field of high-efficiency solar devices and catalytic materials for water splitting.

2.
Front Chem ; 10: 992482, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-36046726

RESUMEN

ZnO/Graphene (G)/Graphene Oxide (GO)/Multi-walled Carbon Nanotube (MCNT) composite aerogels with a three-dimensional porous structure were prepared by the sol-gel method under average temperature and alkaline conditions, combined with freeze-drying process and heat treatment process. The photocatalytic degradation of Rhodamine B (RhB) was mainly studied. The scanning electron microscope (SEM) test results showed that the morphology uniformity of the ZnO/G/GO/MCNT composite aerogel was significantly enhanced, which effectively solving the agglomeration problem of MCNT and ZnO. The photocatalytic degradation test results of RhB show that due to the synergistic effect of physical adsorption and photocatalytic degradation, the total degradation efficiency of RhB by ZnO/G/GO/MCNT could reach 86.8%, which is 3.3 times higher than that of ZnO. In addition, the synergistic effect of ZnO and G effectively hinders the recombination of photo-generated electron-hole pairs and enhances photocatalytic activity. The ZnO/G/GO/MCNT composite aerogel can be applied in the visible light catalytic degradation of water pollution.

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