Experimental and DFT Studies of Au Deposition Over WO(3)/g-C(3)N(4) Z-Scheme Heterojunction.
Experimental and DFT Studies of Au Deposition Over WO(3)/g-C(3)N(4) Z-Scheme Heterojunction.
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WO3/g-C3N4 Z 型异质结上金沉积的实验和 DFT 研究
DOI：
10.1007/s40820-019-0345-2
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发表时间：
2019-12-19
影响因子：
26.6
通讯作者：
Luo W
中科院分区：
文献类型：
--
作者：
Humayun M;Ullah H;Cao J;Pi W;Yuan Y;Ali S;Tahir AA;Yue P;Khan A;Zheng Z;Fu Q;Luo W
对Au修饰的WO 3/g-C3 N4 Z型异质结进行了实验和密度泛函理论研究。优化后的4Au/6 WO 3/CN复合材料具有较好的析氢和降解2，4-DCP的性能，这是由于WO 3/g-C3 N4复合材料中的电荷分离和Au的表面等离子体共振ct得到改善。本文的在线版本（10.1007/s40820-019-0345-2）包含补充材料，可供授权用户使用。典型的Z-方案系统由两种光催化剂组成，这两种光催化剂产生两组电荷载流子并在不同位置将水分解成H2和O2。科学家们正在努力提高这些系统的效率，最大限度地提高它们的光吸收，设计更稳定的氧化还原对，并发现新的O2和H2演变助催化剂。本工作采用湿化学法和光沉积法制备了Au修饰的WO 3/g-C3 N4 Z型纳米复合材料。该纳米复合材料用于氢气生产和2，4-二氯苯酚（2，4-DCP）降解的催化剂。研究表明，优化的4Au/6%WO3/CN纳米复合材料在可见光（λ > 420 nm）和紫外-可见光照射下分别高效产生69.9和307.3 μmol h−1 g−1 H2气体。此外，制备的4Au/6%WO 3/CN纳米复合材料是显著的（即，2 h内降解率为100%），在可见光下降解2，4-DCP，在紫外光下稳定性高。在波长420 nm处，记录到H2产生的显著的4.17%量子效率。这种增强的性能归因于Au纳米颗粒改善的电荷分离和表面等离子体共振效应。进行固态密度泛函理论模拟来复核和验证我们的实验数据。正的表面形成能、高的电荷转移和通过静电力的强的非键相互作用证实了4Au/6%WO3/CN界面的稳定性。本文的在线版本（10.1007/s40820-019-0345-2）包含补充材料，可供授权用户使用。
Experimental and density functional theory studies were performed for Au decorated WO3/g-C3N4 Z-scheme heterojunction. The amount optimized 4Au/6WO3/CN composite exhibited high performance for H2 evolution and 2,4-DCP degradation due to the improved charge separation in WO3/g-C3N4 composite and the surface plasmon resonance ct of Au. The online version of this article (10.1007/s40820-019-0345-2) contains supplementary material, which is available to authorized users. A typical Z-scheme system is composed of two photocatalysts which generate two sets of charge carriers and split water into H2 and O2 at different locations. Scientists are struggling to enhance the efficiencies of these systems by maximizing their light absorption, engineering more stable redox couples, and discovering new O2 and H2 evolutions co-catalysts. In this work, Au decorated WO3/g-C3N4 Z-scheme nanocomposites are fabricated via wet-chemical and photo-deposition methods. The nanocomposites are utilized in photocatalysis for H2 production and 2,4-dichlorophenol (2,4-DCP) degradation. It is investigated that the optimized 4Au/6% WO3/CN nanocomposite is highly efficient for production of 69.9 and 307.3 µmol h−1 g−1 H2 gas, respectively, under visible-light (λ > 420 nm) and UV–visible illumination. Further, the fabricated 4Au/6% WO3/CN nanocomposite is significant (i.e., 100% degradation in 2 h) for 2,4-DCP degradation under visible light and highly stable in photocatalysis. A significant 4.17% quantum efficiency is recorded for H2 production at wavelength 420 nm. This enhanced performance is attributed to the improved charge separation and the surface plasmon resonance effect of Au nanoparticles. Solid-state density functional theory simulations are performed to countercheck and validate our experimental data. Positive surface formation energy, high charge transfer, and strong non-bonding interaction via electrostatic forces confirm the stability of 4Au/6% WO3/CN interface. The online version of this article (10.1007/s40820-019-0345-2) contains supplementary material, which is available to authorized users.
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DOI：
10.1021/acs.jpclett.6b00946
发表时间：
2016-07-21
期刊：
The journal of physical chemistry letters
影响因子：
--
作者：
Endres J;Egger DA;Kulbak M;Kerner RA;Zhao L;Silver SH;Hodes G;Rand BP;Cahen D;Kronik L;Kahn A
通讯作者：
Kahn A
影响因子：
6.7
作者：
Cui, Lifeng;Ding, Xiang;Kang, Shifei
通讯作者：
Kang, Shifei
TiO2 耦合 N 掺杂多孔钙钛矿 LaFeO3 对 2,4-二氯苯酚分解和 CO2 转化具有出色的可见光活性
影响因子：
11.4
作者：
Humayun, Muhammad;Qu, Yang;Jing, Liqiang
通讯作者：
Jing, Liqiang
影响因子：
11.9
作者：
Jiang, Zhifeng;Zhu, Chengzhang;Xie, Jimin
通讯作者：
Xie, Jimin
影响因子：
7
作者：
Acharya, S.;Mansingh, S.;Parida, K. M.
通讯作者：
Parida, K. M.