Single atom catalytic oxidation mechanism of formaldehyde on Al doped graphene at room temperature |
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| Institution: | 1. School of Chemical Engineering and Technology, Sun Yat-sen University, Zhuhai 519082, China;2. Fine Chemical Industry Research Institute, School of Chemistry, Sun Yat-sen University, Guangzhou 510275, China;1. State Key Laboratory of Fine Chemicals, School of Chemistry, Dalian University of Technology, Dalian 116024, China;2. Laboratory of Plasma Physical Chemistry, Dalian University of Technology, Dalian, China;3. Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua 321004, China;1. College of physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou 450044, China;2. College of Physics and Materials Science, Henan Normal University, Xinxiang Henan, 453007, China;1. Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, and Hubei Key Laboratory of Industrial Fume and Dust Pollution Control, Jianghan University, Wuhan 430056, China;2. Key Laboratory for Processing and Application of Catalytic Materials, Huanggang Normal University, Huanggang 438000, China;1. State Key Laboratory of Heavy Oil Processing and Beijing Key Lab of Oil & Gas Pollution Control, China University of Petroleum, Beijing 102249, PR China |
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| Abstract: | Formaldehyde (HCHO) is one kind of common indoor toxic pollutant, the catalytic oxidation degradation of formaldehyde at room temperature is desired. In this work, a new single atomic catalyst (SAC), Al doped graphene, for the catalytic oxidation of HCHO molecules was proposed through density function theory (DFT) calculations. It is found that Al atoms can be adsorbed on graphene stably without aggression. Then HCHO can be effectively oxidized into CO2 and H2O in the presence of O2 molecules on Al doped graphene with a low energy barrier of 0.82 eV and releasing energy of 2.29 eV with the pathway of HCHO → HCOOH → CO → CO2. The oxidation reaction can happen promptly with reaction time τ = 56.9 s at the speed control step at room temperature. Therefore, this work proposed a high-performance catalyst Al-doped graphene without any noble metal for HCHO oxidation at ambient temperature, and corresponding oxidation pathway and mechanism are also deeply understood. |
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| Keywords: | Formaldehyde Al doped grapheme Room temperature Catalytic oxidation Adsorption Degradation |
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