PMID- 34138054 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20210624 IS - 2150-5551 (Electronic) IS - 2311-6706 (Print) IS - 2150-5551 (Linking) VI - 12 IP - 1 DP - 2019 Dec 19 TI - Experimental and DFT Studies of Au Deposition Over WO(3)/g-C(3)N(4) Z-Scheme Heterojunction. PG - 7 LID - 10.1007/s40820-019-0345-2 [doi] LID - 7 AB - A typical Z-scheme system is composed of two photocatalysts which generate two sets of charge carriers and split water into H(2) and O(2) 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 O(2) and H(2) evolutions co-catalysts. In this work, Au decorated WO(3)/g-C(3)N(4) Z-scheme nanocomposites are fabricated via wet-chemical and photo-deposition methods. The nanocomposites are utilized in photocatalysis for H(2) production and 2,4-dichlorophenol (2,4-DCP) degradation. It is investigated that the optimized 4Au/6% WO(3)/CN nanocomposite is highly efficient for production of 69.9 and 307.3 micromol h(-1) g(-1) H(2) gas, respectively, under visible-light (lambda > 420 nm) and UV-visible illumination. Further, the fabricated 4Au/6% WO(3)/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 H(2) 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% WO(3)/CN interface. FAU - Humayun, Muhammad AU - Humayun M AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. AD - China-EU Institute for Clean and Renewable Energy, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Ullah, Habib AU - Ullah H AD - Environment and Sustainability Institute (ESI), University of Exeter, Penryn Campus, Penryn, Cornwall, TR10 9FE, UK. FAU - Cao, Junhao AU - Cao J AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Pi, Wenbo AU - Pi W AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Yuan, Yang AU - Yuan Y AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Ali, Sher AU - Ali S AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Tahir, Asif Ali AU - Tahir AA AD - Environment and Sustainability Institute (ESI), University of Exeter, Penryn Campus, Penryn, Cornwall, TR10 9FE, UK. FAU - Yue, Pang AU - Yue P AD - College of Engineering and Applied Sciences, Nanjing University, Nanjing, 210093, People's Republic of China. FAU - Khan, Abbas AU - Khan A AD - Department of Chemistry, Abdul Wali Khan University, Mardan, Khyber Pakhtunkhwa, 23200, Pakistan. FAU - Zheng, Zhiping AU - Zheng Z AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Fu, Qiuyun AU - Fu Q AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. FAU - Luo, Wei AU - Luo W AD - Engineering Research Center for Functional Ceramics of the Ministry of Education, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. luowei@mail.hust.edu.cn. AD - China-EU Institute for Clean and Renewable Energy, Huazhong University of Science and Technology, Wuhan, 430074, People's Republic of China. luowei@mail.hust.edu.cn. LA - eng PT - Journal Article DEP - 20191219 PL - Germany TA - Nanomicro Lett JT - Nano-micro letters JID - 101727940 PMC - PMC7770730 OTO - NOTNLM OT - Charge separation OT - DFT calculations OT - Plasmonic Au OT - Polymeric g-C3N4 OT - Solar H2 production EDAT- 2019/12/19 00:00 MHDA- 2019/12/19 00:01 PMCR- 2019/12/19 CRDT- 2021/06/17 12:40 PHST- 2019/10/07 00:00 [received] PHST- 2019/11/25 00:00 [accepted] PHST- 2021/06/17 12:40 [entrez] PHST- 2019/12/19 00:00 [pubmed] PHST- 2019/12/19 00:01 [medline] PHST- 2019/12/19 00:00 [pmc-release] AID - 10.1007/s40820-019-0345-2 [pii] AID - 345 [pii] AID - 10.1007/s40820-019-0345-2 [doi] PST - epublish SO - Nanomicro Lett. 2019 Dec 19;12(1):7. doi: 10.1007/s40820-019-0345-2.