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ChemComm
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COMMUNICATION
Journal Name
C2H2 (Eads = -46.7 kJ mol-1) than pure carbon surface, -BC2O
(Eads = -37.34 kJ mol-1) and -BCO2 (Eads = -37.56 kJ mol-1) sites.
Subsequently, the further insertion and adsorption of HCl
molecule on B sites with a similar adsorption energy of ~-70 kJ
mol-1, activates C2H2 on -BC3 sites coordinates with HCl to form
VCM with the lowest energy barrier of 23.47 kJ mol-1 among
the five surfaces, suggesting that the -BC3 site, without
coordination with O atoms, is active. The formation of VCM
should be the rate determining step. In the experiment, the
active site -BC3 did exhibit better catalytic performance,
demonstrating the qualitative agreement between experiment
and computational models.
In conclusion, we have synthesized 2D layered B-CNDs with
in-plane dispersed BC3-nanodots through preassembly of ionic
liquids precursors and carbonization. The obtained B-CNDs
possess an inhomogeneous distribution of local electrostatic
potential over nanodots but a symmetrical distribution over
the entire surface, thus facilitating high distortion resistance
while maintaining chemical activity. The synthesized B-CNDs
have been applied in acetylene hydrochlorination with
excellent catalytic performance and high durability. The
method presented herein provides a universal procedure for
generating 2D carbon materials with an advanced structure for
a wide range of applications.
2018, 365, 153.
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Conflicts of interest
There are no conflicts to declare.
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