Improved Catalytic Performance of Direct Dehydrogenation of Ethylbenzene by Creating Boron Defects on Phosphorus‐doped Boron Nitride

Abstract

Phosphorus-doped boron nitride (PBN) has been confirmed as an effective metal-free catalyst for the direct dehydrogenation (DDH) of ethylbenzene to styrene. In this paper, we further used barbituric acid as co-reactant sources to create B defects in both PBN and mesoporous PBN (m-PBN) materials. The XPS, N 2 adsorption-desorption, UV-vis DRS, EPR, 11 B SS NMR characterizations indicated both the electronic and pore structures of the catalyst with B defects were adjusted. Except for the improvement of mass transfer caused by B defects, DFT calculations showed the increase of electron density in B defects areas could enhance the breaking of CÀ H in ethylbenzene and the bondforming of HÀ H, which was acted to improve the catalytic activity. The m-PBN with B defects delivered the styrene production rate of 22.54 mmol ST g À 1 h À 1 and stably run 300 h when in-situ grown on Al 2 O 3 , proving that defect tuning strategy is useful to construct efficient catalysts for styrene production.

A DFT study towards dynamic structures of iron and iron carbide and their effects on the activity of the Fischer–Tropsch process

“…Also, the PBE functional have been extensively used in similar studies. [68][69][70] We have also tested the CO adsorption energy using different functionals, namely PBEsol and RPBE, and shows similar trends as that of PBE functional.…”

Effects of Phosphorus Doping on Amorphous Boron Nitride’s Chemical, Sorptive, Optoelectronic, and Photocatalytic Properties

“…Another study reported P-doped BN nanosheets supported on graphene, as an interlayer for Li–S batteries, and showed increased cyclic stability and rate capability due to synergy between graphene physical barrier and P-BN chemical adsorption. P-doped BN has also been reported as an efficient catalyst for the dehydrogenation of ethylbenzene, while the introduction of B defects to the structure enhances its catalytic activity. − Moreover, P-doped BN nanosheets have previously been incorporated in a Z-scheme heterojunction with ZnIn 2 S 4 for photocatalytic H 2 and H 2 O 2 evolution . The material showed enhanced H 2 and H 2 O 2 production rates and good stability, potentially due to the promotion of charge separation and inhibition of their recombination.…”

Nickel Metallaphotoredox Buchwald–Hartwig Amination Reactions: A Perspective on Irradiation Light Wavelength

“…[21] During the preparation of this manuscript, Lin et al presented a minireview focusing on the recent development of C-heteroatom bond formation promoted by single Ni photocatalysis. [22] However, to the best of our knowledge, there is no reviews focusing on introducing the progress of Ni-metallaphotoredox BHA according to the irradiation light wavelength used. Given its scientific importance, herein, we propose to comprehensively review the achievement of Ni-metallaphotoredox BHA based on the irradiation light, covering ultraviolet, purple, blue, red and white light.…”

“…During the preparation of this manuscript, Lin et al. presented a mini‐review focusing on the recent development of C‐heteroatom bond formation promoted by single Ni photocatalysis [22] . However, to the best of our knowledge, there is no reviews focusing on introducing the progress of Ni‐metallaphotoredox BHA according to the irradiation light wavelength used.…”