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Billiard Catalysis at Ti3C2 MXene/MAX Heterostructure for Efficient Nitrogen Fixation
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- Ba, Kun (author)
- Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China.;Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Shanghai 200433, Peoples R China.
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- Pu, Dongdong (author)
- Southwest Univ Sci & Technol, Natl Collaborat Innovat Ctr Nucl Waste & Environm, Mianyang 621010, Sichuan, Peoples R China.;Fudan Univ, Dept Mat Sci, Shanghai 200433, Peoples R China.;Fudan Univ, Sch Microelect, Shanghai 200433, Peoples R China.
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- Yang, Xiaoyong (author)
- KTH,Materialvetenskap,Southwest Univ Sci & Technol, Natl Collaborat Innovat Ctr Nucl Waste & Environm, Mianyang 621010, Sichuan, Peoples R China.
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- Fudan Univ, Dept Chem, Shanghai 200433, Peoples R China;Fudan Univ, Shanghai Key Lab Mol Catalysis & Innovat Mat, Shanghai 200433, Peoples R China. Southwest Univ Sci & Technol, Natl Collaborat Innovat Ctr Nucl Waste & Environm, Mianyang 621010, Sichuan, Peoples R China.;Fudan Univ, Dept Mat Sci, Shanghai 200433, Peoples R China.;Fudan Univ, Sch Microelect, Shanghai 200433, Peoples R China. (creator_code:org_t)
- Elsevier BV, 2022
- 2022
- English.
- In: Applied Catalysis B. - : Elsevier BV. - 0926-3373 .- 1873-3883. ; 317, s. 121755-
- Journal article (peer-reviewed)
Abstract
Subject headings
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- Electrocatalytic ammonia (NH3) conversion under ambient atmosphere is crucial to mimic the nature's nitrogen cycle. But currently it is always interrupted by the HER process which is more competitive. Herein, we tactically cultivate a series of incompletely etched Ti3AlC2 MAX / Ti3C2 MXene based heterostructure catalysts whose composition can be finely tuned through regulation of the LiF percentage in mixed chemical etching agent. Notably, the surface potential difference between MAX and MXene is ~40 mV, indicating that the electron can be readily transferred from MAX to MXene across the interfaces, which is favorable for N2 fixation, yielding an outstanding Faradic efficiency of 36.9%. Furthermore, density functional theory calculations reveal the billiard-like catalysis mechanism, where the intermediates are alternatively adsorbed on MAX or MXene surfaces. Meanwhile, the rate-determining step of *NH → *NH2 possesses an energy barrier of 0.96 eV on the hetero-interface which follows associative distal mechanism. This work opens a new frontier of heterostructured catalyst for balancing electrical conductivity and catalytic activity in electrocatalysis.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- Electro-catalysis
- Nitrogen reduction reaction
- MXene
- MAX heterostructure
- Surface diffusion
- Billiard catalysis
Publication and Content Type
- ref (subject category)
- art (subject category)
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- Ba, Kun
- Pu, Dongdong
- Yang, Xiaoyong
- Ye, Tong
- Chen, Jinhang
- Wang, Xirui
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- Xiao, Taishi
- Duan, Tao
- Sun, Yangye
- Ge, Binghui
- Zhang, Ping
- Liang, Ziqi
- Sun, Zhengzong
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- Royal Institute of Technology
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