Indirect Z-scheme hydrogen production photocatalyst based on two-dimensional GeC/MoSi2N4 van der Waals heterostructures |
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| Affiliation: | 1. Energy Materials Computing Center, School of Energy and Mechanical Engineering, Jiangxi University of Science and Technology, Nanchang, 330013, China;2. Faculty of Materials Metallurgy and Chemistry, Jiangxi University of Science and Technology, Ganzhou, 341000, China;3. Key Laboratory for Micro-Nano Optoelectronic Devices of Ministry of Education, School of Physics and Electronics, Hunan University, Changsha, 410082, China;1. Department of Metallurgical and Materials Engineering, Karadeniz Technical University, 61040, Trabzon, Turkey;2. Department of Metallurgical and Materials Engineering, Gaziantep University, 27310, Gaziantep, Turkey;3. Laboratory for Nuclear and Plasma Physics, Vin?a Institute of Nuclear Sciences, University of Belgrade, 11000 Belgrade, Serbia;4. Center of Excellence for Hydrogen and Renewable Energy Convince, Vin?a Institute of Nuclear Sciences, University of Belgrade, POB 522, 11001 Belgrade, Serbia;1. Department of Materials Science and Engineering, University of Connecticut, Storrs, CT, 06269, USA;2. Department of Mechanical Engineering, Kennesaw State University, Marietta, GA, 30060, USA;3. Nissan Motor Co., Ltd., Yokosuka, Kanagawa, Japan;4. Nissan Technical Center North America, Farmington Hills, MI, 4833, USA;1. College of Safety and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590, China;2. Institute of Yellow River Delta Earth Surface Processes and Ecological Integrity, Shandong University of Science and Technology, Qingdao, 266590, China;3. College of Chemical and Biological Engineering, Shandong University of Science and Technology, Qingdao 266590, China;4. Key Laboratory of Marine Environmental Corrosion and Bio-fouling, Institute of Oceanology, Chinese Academy of Sciences, Qingdao, 266071, China;5. School of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0595, USA;6. College of Electrical and Automation Engineering, Shandong University of Science and Technology, Qingdao 26590, China |
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| Abstract: | The stacked two-dimensional materials with suitable band gap are crucial for photocatalytic hydrogen production. Here, using first-principles calculations, the GeC/MoSi2N4 heterojunction with a band gap of 1.80 eV is calculated thoroughly. The indirect band alignment of Z-scheme and high carrier mobility boost the separation of electron-hole pairs, allowing more electrons and holes participating in the reactions. Additionally, the band-edge potential perfectly satisfies the requirements for redox potential of water splitting. Furthermore, the Gibbs free energy (?0.552 eV) close to zero indicates the heterojunction can conduct HER exceedingly well, providing a guarantee for photocatalytic hydrogen production. Remarkably, the light absorption coefficient peak is about 1.39 × 105 cm?1 within the visible light range enables the heterojunction to absorb more visible light from the spectrum. In short, results demonstrate the GeC/MoSi2N4 heterojunction is a promising photocatalyst for visible light water splitting, which will pave the way for the development of water splitting hydrogen production. |
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| Keywords: | Indirect Z-scheme Water splitting Photocatalytic Hydrogen production |
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