Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting
Intrinsic Electric Fields in Two-dimensional Materials Boost the Solar-to-Hydrogen Efficiency for Photocatalytic Water Splitting
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二维材料的固有电场提高了光催化水分解的太阳能制氢效率
DOI：
10.1021/acs.nanolett.8b02561
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发表时间：
2018-10-01
期刊：
影响因子：
10.8
通讯作者：
Yang, Jinlong
中科院分区：
文献类型：
--
作者：
Fu, Cen-Feng;Sun, Jiuyu;Yang, Jinlong
具有垂直本征电场的二维(2D)材料在抑制光生载流子复合、拓宽光吸收范围方面具有广阔的光催化应用前景。我们首次研究了实验上获得的具有平面外铁电性的2D M2X3(M=Al，Ga，In；X=S，Se，Te)系列用于光催化分解水的潜在可行性。通过第一性原理计算，验证了二维M2X3的所有九个成员都是可用于整体分解水的光催化剂。Al2Te3、Ga2Se3、Ga2Te3、In2S3、In2Se3和In2Te3的太阳能氢转换效率预测均大于10%。令人兴奋的是，In2Te3被证明是一种红外光驱动的光催化剂，其全太阳光谱的太阳能转化为氢的效率极限甚至达到了32.1%，打破了传统的理论效率极限。
Two-dimensional (2D) materials with the vertical intrinsic electric fields show great promise in inhibiting the recombination of photogenerated carriers and widening light absorption region for the photocatalytic applications. For the first time, we investigated the potential feasibility of the experimentally attainable 2D M2X3 (M = Al, Ga, In; X = S, Se, Te) family featuring out-of-plane ferroelectricity used in photocatalytic water splitting. By using first-principles calculations, all the nine members of 2D M2X3 are verified to be available photocatalysts for overall water splitting. The predicted solar-to-hydrogen efficiency of Al2Te3, Ga2Se3, Ga2Te3, In2S3, In2Se3, and In2Te3 are larger than 10%. Excitingly, In2Te3 is manifested to be an infrared-light driven photocatalyst, and its solar-to-hydrogen efficiency limit using the full solar spectrum even reaches up to 32.1%, which breaks the conventional theoretical efficiency limit.