| 摘要 | Nitrogen-doped carbon nanotubes (N-CNTs) are found to be active as one novel heterogeneous catalyst for acetylene hydrochlorination reaction, possessing good activity (TOF=2.3x10(-3)s(-1)) and high selectivity (>98%). Compared to toxic and energy-consuming conventional catalysts, such as HgCl2, N-CNTs are more favorable in terms of sustainability, because of their thermo-stability, metal-free make up, and the wide availability of bulk CNT. Coupling X-ray photoelectron spectroscopy and density functional theory computations (DFT), the main active source and reaction pathway are shown. Good linearity between the quaternary nitrogen content and conversion is revealed. DFT study shows that the nitrogen doping enhanced the formation of the covalent bond between C2H2 and NCNT compared with the undoped CNT, and therefore promoted the addition reaction of the C2H2 and HCl into C2H3Cl. |
| 部门归属 | [zhou, kai
; zhang, qiang
; huang, jia-qi
; tian, gui-li
; jia, jin-chao
; zhao, meng-qiang
; luo, guo-hua
; wei, fei] tsinghua univ, dept chem engn, beijing key lab green chem react engn & technol, beijing 100084, peoples r china. [li, bo
; su, dang sheng] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [su, dang sheng] max plank soc, fritz haber inst, dept inorgan chem, d-14195 berlin, germany.
; zhou, k (reprint author), tsinghua univ, dept chem engn, beijing key lab green chem react engn & technol, beijing 100084, peoples r china.
; dangsheng@fhi-berlin.mpg.de
; wf-dce@tsinghua.edu.cn
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| APA |
K. Zhou.,B. Li.,Q. Zhang.,J. Q. Huang.,G. L. Tian.,...&F. Wei.(2014).The Catalytic Pathways of Hydrohalogenation over MetalFree Nitrogen-Doped Carbon Nanotubes.Chemsuschem,7(3),723-728.
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