@article{ce534b8afc5549f9b2b817813ea4f576,
title = "Simultaneous polarization engineering and selectivity regulation achieved using polymeric carbon nitride for promoting NOx photo-oxidation",
abstract = "Sluggish charge kinetics and high NO2 selectivity are still the bottleneck issues that restrict the efficient NOx photo-oxidation and removal using polymeric carbon nitride (PCN). Herein, approximately 2 times higher NOx-removal performance and almost complete NO2-inhibition can be synchronously achieved by maximizing the versatility of the coupled hydroxyl groups. The experimental and computational results reveal the roles of different types of coupled-hydroxyl groups in PCN in the enhancement of photocatalytic activity in terms of NOx removal and product selectivity. The spontaneous polarization effect caused by the introduction of the structural hydroxyl into the C6N7 framework accounts for the improved separation efficiency of the carriers. The mediated role of product selectivity was attributed to the process of surface hydroxyl grafting. Different conversion pathways for NOx photo-oxidation over pristine and hydroxylated-PCN were proposed. These findings provide molecular-level insight into the multiple roles of the coupled hydroxyls and can help design efficient NOx-removal photocatalysts.",
keywords = "Carbon nitride, Hydroxylation, NO -removal mechanism, Polarization, Selectivity",
author = "Zhenyu Wang and Qiuhua Wei and Ning Zhang and Xianjin Shi and Meijuan Chen and Yu Huang and Junji Cao and Haiwei Li and Wingkei Ho and Shuncheng Lee",
note = "Funding Information: This research was financially supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (No. XDA23010300 and XDA23010301 ), the Plan for {"}National Youth Talents{"} of the Organization Department of the Central Committee. Zhenyu Wang was supported by the China National Postdoctoral Program for Innovative Talents (No. BX20200331 ), the China Postdoctoral Science Foundation (No. 2020M673521 ), and the Special Research Assistant Grant Program of the Chinese Academy of Sciences . Funding Information: This research was financially supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (No. XDA23010300 and XDA23010301), the Plan for “National Youth Talents” of the Organization Department of the Central Committee. Zhenyu Wang was supported by the China National Postdoctoral Program for Innovative Talents (No. BX20200331), the China Postdoctoral Science Foundation (No. 2020M673521), and the Special Research Assistant Grant Program of the Chinese Academy of Sciences. Performance comparison of PCN and PCN-based photocatalysts for NOx-removal (Table S1), visible light photocatalytic activities of PCN subjected to alkaline hydrothermal treatment processes (Fig. S1, Table S2), schematic flow diagram of the experimental set-up system (Fig. S2), FT-IR spectral profiles (Fig. S3), element contents (Table S3), modeling process of representative samples (Figs. S4, S7–S10 and Table S4), O 1 s XPS spectrum for PCN (Fig. S5), reaction scheme for the hydrolysis of PCN (Fig. S6), SEM images (Fig. S11), linear regression method followed for the production of NO2 (Table S5), temperature variation of the photocatalyst surface during 30 min of visible-light irradiation (Fig. S12), catalytic activity evaluation under different temperature (Fig. S13), photocatalytic activity evaluation of the PCN-free photocatalysts (Fig. S14 and Table S6), the calculated values of AQY (Table S7) and EEO (Table S8), DMPO spin-trap ESR spectra (Fig. S15), trapping experiments (Fig. S16), UV−vis absorption spectral profiles (Fig. S17), fluorescence lifetime (Table S9), atomic bader charges (Table S10), KPFM characterization results (Fig. S18), calculated imaginary frequency (Table S11), possible adsorption positions corresponding to O2 and *O (Fig. S19 and Table S12), FT-IR spectra after single reaction and washing (Fig. S20), potential energy profiles for NO-removal at the structural OH (Fig. S21) and *O sites (Fig. S22). Publisher Copyright: {\textcopyright} 2023 Elsevier B.V.",
year = "2023",
month = aug,
day = "5",
doi = "10.1016/j.apcatb.2023.122582",
language = "English",
volume = "330",
journal = "Applied Catalysis B: Environmental",
issn = "0926-3373",
publisher = "Elsevier B.V.",
}