分解水
光催化
过电位
异质结
纳米技术
材料科学
光催化分解水
半导体
杰纳斯
制氢
电子结构
工程物理
催化作用
化学
物理
光电子学
物理化学
计算化学
电化学
生物化学
电极
作者
Mukesh Jakhar,Ashok Kumar,P. K. Ahluwalia,K. Tankeshwar,Ravindra Pandey
出处
期刊:Materials
[MDPI AG]
日期:2022-03-17
卷期号:15 (6): 2221-2221
被引量:56
摘要
Splitting of water with the help of photocatalysts has gained a strong interest in the scientific community for producing clean energy, thus requiring novel semiconductor materials to achieve high-yield hydrogen production. The emergence of 2D nanoscale materials with remarkable electronic and optical properties has received much attention in this field. Owing to the recent developments in high-end computation and advanced electronic structure theories, first principles studies offer powerful tools to screen photocatalytic systems reliably and efficiently. This review is organized to highlight the essential properties of 2D photocatalysts and the recent advances in the theoretical engineering of 2D materials for the improvement in photocatalytic overall water-splitting. The advancement in the strategies including (i) single-atom catalysts, (ii) defect engineering, (iii) strain engineering, (iv) Janus structures, (v) type-II heterostructures (vi) Z-scheme heterostructures (vii) multilayer configurations (viii) edge-modification in nanoribbons and (ix) the effect of pH in overall water-splitting are summarized to improve the existing problems for a photocatalytic catalytic reaction such as overcoming large overpotential to trigger the water-splitting reactions without using cocatalysts. This review could serve as a bridge between theoretical and experimental research on next-generation 2D photocatalysts.
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