The exploration of metal-free catalyst g-C3N4 for NO degradation
Yuehong Ren1, Qingzhen Han2, Yuehong Zhao2
1School of Physics, Beijing Institute of Technology, Beijing 100081, China; State Key Laboratory of Multiphase Complex System, Beijing Engineering Research Centre of Process Pollution Control, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China.
Abstract:
We propose a new metal-free scheme of the reaction between the molecules CO and NO on a g-C3N4 monolayer. We first investigate the electronic properties of the related molecules CO, NO, N2, and CO2 adsorbed g-C3N4 systems, and then figure out the possible reaction pathways. It is shown that all the molecules will be physisorbed above the triangular cavity. Also, we find the NO binding on g-C3N4 is stronger than CO. The NO dissociation will be the rate-determining step of the reaction, and the formation of NCO· intermediate will play a critical role for the reaction process. This research presents a new route of applying g-C3N4 as a catalyst in the NO catalytic degradation reaction.
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