Two-Dimensional Li-Based Ternary Chalcogenides for Photocatalysis,The Journal of Physical Chemistry Letters

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Two-Dimensional Li-Based Ternary Chalcogenides for Photocatalysis
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2019-09-27 , DOI: 10.1021/acs.jpclett.9b02340
Wangping Xu _{1,

2} , Rui Wang ₁ , Baobing Zheng ₂ , Xiaozhi Wu ₁ , Hu Xu ₂

Affiliation

Motivated by fundamental interest and practical applications, the investigations of two-dimensional photocatalysts are fascinating subjects in clean energy. Herein, we propose that two-dimensional Li-based ternary chalcogenides LiXY₂ (X = Al, Ga, In; Y = S, Se, Te) have intrinsic polarization and direct band gaps. Our results show that LiXY₂ materials possess optical absorption spectra covering the visible and ultraviolet range. We show that these materials possess extremely high electron mobility (∼10³ cm² V^–1 s^–1), providing great potential in overall water splitting. Furthermore, LiAlS₂ and LiGaS₂ can facilitate overall water splitting regardless of their energy gaps because of the large differences of surface electronic potentials of LiXY₂. Importantly, it is feasible to exfoliate the layered LiAlTe₂ from its bulk counterpart in experiments. Our findings open an exotic pathway to realizing promising photocatalytic applications in two-dimensional ternary materials.

中文翻译：

二维锂基三元硫属化物的光催化作用

出于基本兴趣和实际应用的推动，二维光催化剂的研究吸引了清洁能源领域的关注。在此，我们提出二维基于Li的三族硫族化物LiXY ₂（X = Al，Ga，In; Y = S，Se，Te）具有固有极化和直接带隙。我们的结果表明，LiXY ₂材料具有覆盖可见光和紫外线范围的光吸收光谱。我们证明了这些材料具有极高的电子迁移率（〜10 ³ cm ²  V ^–1  s ^–1），为整个水分解提供了巨大的潜力。此外，LiAlS ₂和LiGaS ₂LiXY ₂的表面电子势差很大，可以促进整个水的分解，而不考虑它们的能隙。重要的是，在实验中将层状LiAlTe ₂从其块状对应物中剥离是可行的。我们的发现为在二维三元材料中实现有希望的光催化应用开辟了一条奇特的途径。

更新日期：2019-09-28

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