Improving hydrogen evolution activity of perovskite BaTiO3 with Mo doping: Experiments and first-principles analysis |
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| Affiliation: | 1. State Key Laboratory of Marine Resource Utilization in South China Sea, Hainan University, Haikou 570228, China;2. College of Materials and Chemical Engineering, Hainan University, Haikou 570228, China;1. Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India;2. School of Physics and Materials Science, Thapar Institute of Engineering and Technology, Patiala, Punjab, India;1. International and Inter University Centre for Nanoscience and Nanotechnology, Mahatma Gandhi University, Kottayam 686560, Kerala, India;2. Department of Physics, Osmania University, Hyderabad 500007, India;3. Department of Physics, Mekelle University, Mekelle, Ethiopia;4. School of Chemical Sciences, Mahatma Gandhi University, Kottayam 686560, Kerala, India;5. School of Pure and Applied Physics, Mahatma Gandhi University, Kottayam 686560, Kerala, India;1. Institute of Applied Physics and Materials Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, PR China;2. College of Physics and Communication Electronics, Jiangxi Normal University, Nanchang, 330022, PR China;3. Department of Electromechanical Engineering, Faculty of Science and Technology, University of Macau, Macao SAR, PR China;1. Research Institute of Photocatalysis, State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002, PR China;2. Hunan Provincial Collaborative Innovation Center for Environment and Energy Photocatalysis, Changsha University, Changsha 410022, PR China |
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| Abstract: | Hydrogen production through photocatalytic water splitting attracts great attention in fields of energy conversion. To improve the hydrogen evolution efficiency, narrowing the bandgap of photocatalysts by introducing dopant atoms is widely investigated for increasing light absorption. Herein, Mo-doped BaTiO3 samples are synthesized by a traditional solid-state reaction method and all the samples are modified with Pt by a photo-reduction method. Compared with pure BaTiO3, Mo doping into BaTiO3 samples realizes the band-to-band visible-light absorption and shows remarkable improvement in hydrogen production efficiency. Under simulated sunlight irradiation and with 0.4 wt% Pt deposition, BaTiO3 doped with 2 at% Mo exhibits a hydrogen evolution rate of 63 μmol g?1 h?1, about 2 times improvement in comparison to pure BaTiO3 (35 μmol g?1 h?1). Further first-principles calculations based on density-function theory demonstrates an apparent downward movement of the conduction band minimum due to the coupling between the Ti 3d and Mo 3d states, leading to the significant bandgap narrowing and enhancement of the visible-light photocatalytic activity. |
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| Keywords: | Perovskite Doping Photocatalysis Water splitting Hydrogen production |
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