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Surfaces and Interfaces · 2023 · IF 6.2

DFT investigation and Polypyrrole sensitization mechanism of a selective NO2 sensor for room temperature application based on MXene@PPy heterojunction

Guoqing Feng,Shihan Wang,Siqing Wang,Pengcheng Wang,Chuntao Wang,Andargie Abebe Setiye,Massamba-Courtois Joanes Benedicte,Jingkun Xiao,Chengwen Song

Assembling a heterojunction-based composite nanomaterial to simultaneously achieve higher response and superior selectivity towards NO 2 under room-temperature conditions remains a great challenge. In this work, the MXene@Polypyrrole heterojunction was synthesized via a facile in-suit chemical polymerization approach. The distribution of sphere-like PPy nanoparticles was confirmed via various characterization techniques. The response value of the 0.5MXP sensor toward 50 ppm NO 2 is significantly higher than that of the pristine MXene based sensor, entailing greater response (6.5-fold). Nearly 98.11% recovery to the base resistance was observed in each sensing cycle. Noteworthy, the Schottky barriers formed between MXene and PPy contact surface, leading to the ideal selectivity and a lower limit of detection. Additionally, the sensor was tested for a 31-days-period with minimal deviation, predicting outstanding reproducibility and durability. The detailed polypyrrole sensitization mechanism containing selectivity mechanism, underlying heterojunction mechanism as well as the Density Function Theory (DFT) calculation were also revealed, offering new ideas for the development of room-temperature nitrogen dioxide sensors. Simultaneously, DFT calculation (21 models, 42 images) revealed the adsorption energy, electron transfer , and charge density differences between the NO 2 molecules and the substrate (MXene, PPy and MXene@PPy). In summary, the outstanding MXene surface functionalization has been exploited by decorating with polypyrrole (PPy) nanoparticles.

CAS / MDL: 109-97-7
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Molecular Catalysis · 2017 · IF 0

Mesoporous silica-immobilized FeCl3 as a highly efficient and recyclable catalyst for the nitration of benzene with NO2 to nitrobenzene

Shenghui Zhou,Kuiyi You,Hongxu Gao,Renjie Deng,Fangfang Zhao,Pingle Liu,Qiuhong Ai,He’an Luo

Mesoporous silica-immobilized FeCl 3 (FeCl 3 -SiO 2 ) as a highly efficient and reusable catalyst for the nitration of benzene with NO 2 has been successfully prepared in this work. The physical-chemical properties of samples were characterized by BET, XRD, TG-DTG, NH 3 -TPD, FT-IR, UV–vis DRS, Raman spectra and SEM. The characterization results indicated that FeCl 3 could be immobilized on the silica surface by bonding of FeCl 3 and silicon hydroxyl groups (Si OH) in forming the new Lewis acid sites of Si O Fe Cl 2 . The results showed the immobilized 15%FeCl 3 -SiO 2 catalyst exhibited excellent catalytic performance (99% of benzene conversion with 99% of selectivity to nitrobenzene) under the optimized reaction conditions. Furthermore, the durability of catalyst was remarkably improved by immobilizing. The present immobilized FeCl 3 -SiO 2 catalyst as a solid heterogeneous and stable catalyst could be conveniently recycled from the reaction media by filtering and remained highly catalytic performance even after five runs of recycling. The possible reaction pathway for the nitration of benzene with NO 2 over FeCl 3 -SiO 2 catalyst was suggested. This method provides a promising strategy for highly efficient preparation of nitro aromatic compounds by using NO 2 as nitration reagent, with the potential industrial applications.

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SENSORS AND ACTUATORS B-CHEMICAL · 2015 · IF 4.097

Preparation of Ag nanoparticles-SnO2 nanoparticles-reduced graphene oxide hybrids and their application for detection of NO2 at room temperature

Ziying Wang,Yong Zhang,Sen Liu,Tong Zhang

A novel NO 2 gas sensor has been constructed using Ag nanoparticles-SnO 2 nanoparticles-reduced graphene oxide (AgNPs-SnO 2 -rGO) hybrids as sensing materials. AgNPs-SnO 2 -rGO hybrids were prepared by a two-step wet-chemical method. Firstly, SnO 2 -rGO hybrids were synthesized by hydrothermal treatment of aqueous dispersion of GO in the presence of SnCl 4 . Then, AgNPs-SnO 2 -rGO hybrids were obtained by in situ reduction of AgNO 3 on the surface of SnO 2 -rGO hybrids. The combined characterizations of UV–vis spectroscopy, X-ray diffraction (XRD), energy-dispersive X-ray spectrometer (EDX), elemental mapping, X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and Raman spectra were used to investigate the structure of AgNPs-SnO 2 -rGO hybrids. Most importantly, the sensor based on AgNPs-SnO 2 -rGO hybrids exhibits good sensing performance for NO 2 sensing operating at room temperature . For example, the response time and recovery time of the sensor based on AgNPs-SnO 2 -rGO hybrids for 5   ppm NO 2 are 49   s and 339   s, which are much shorter than that of SnO 2 -rGO hybrids (415   s and 740   s), indicating that the sensing performances for NO 2 sensing at room temperature have been tremendously enhanced by introduction of AgNPs into SnO 2 -rGO hybrids.

CAS / MDL: 7782-42-5
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ACS Applied Polymer Materials · 2024 · IF 4.4

Fluorescent Polyamides with Piperazine and Valerolactam Structures Prepared by the Modified Ugi Reaction and Its Specific Detection to NO2– Ions

Yunfei Liu,Yayu Feng,Yue Sun,Meijing Zhang,Pengfei Zhang,Ronghui Zhao,Kuilin Deng

In this investigation, a nonconjugated fluorescent polyamide with piperazine and valerolactam moieties (PAM–PV) has been synthesized by the modified Ugi polymerization using 1,4-bis(3-aminopropyl)piperazine, levulinic acid, and 1,4-bis(3-isocyanopropyl)piperazine as monomers. In the polymerization, the special construction of levulinic acid leads to the formation of valerolactam on PAM–PV chains via the Mumm rearrangement. PAM–PV shows a strong fluorescence emission at 428 nm due to the intramolecular aggregation of piperazine and valerolactam moieties along the backbone. Impressively, PAM–PV can specifically detect NO2– ions via static quenching with a linear range of 10–6–10–5 M and a detection limit of 0.6 μM (0.0276 mg/L), which was far less than the minimum allowable concentration of 3 mg/L for NO2– in drinking water specified by WHO. Furthermore, the several common anions and cations have no interference effects on the specific detection of PAM–PV to NO2– ions. The quenching mechanism of NO2– and PAM–PV by FTIR, UV, and 1H NMR measurements indicates that the strong electrostatic interaction between NO2– and PAM–PV makes the macromolecular chains more relaxed and outstretched, leading to a formation of a nonfluorescent complex. Moreover, the practical detection of NO2– in the three water bodies, sauerkraut, and ham sausage and the fabrication of a portable detecting paper to NO2– ions were conducted in this experiment.

CAS / MDL: 51641-96-4
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JOURNAL OF ALLOYS AND COMPOUNDS · 2024 · IF 5.8

Gas-sensitive performance of metal-organic framework-derived CuO NPs/Ti3C2TX MXene heterostructures for efficient NO2 detection at room temperature

Haoran Peng,Jinhong Yang,Chong Lin,Lixue Qi,Li Li,Keying Shi

In this paper, MOFs-derived transition metal oxides (CuO NPs) were prepared by hydrothermal method combined with the stirring aging method using MOFs as sacrificial templates to realize the growth of CuO NPs octahedra on Ti 3 C 2 T X MXene nanosheets . Due to the synthesized binary heterostructured CuO NPs/Ti 3 C 2 T X MXene materials retain the unique MOFs structures, have abundant heterojunction interface, and owns the advantages of MOFs, such as large specific surface area, abundant active sites, high porosity, and effective oxidative chemical adsorption , the composite sensor shows very significant gas sensing capabilities for NO 2 gas with a gas-sensitive response and response time of 38.54 and 2.84 s, respectively, for 100 ppm NO 2 gas at RT. It achieves an impressively low detection limit of 30 ppb, maintaining stability for up to 10 weeks. This positions it as a highly sensitive NO 2 gas sensor with potential for room-temperature applications.

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CHEMOSPHERE · 2024 · IF 8.1

Exposure to O3 and NO2 on the interfacial chemistry of the pulmonary surfactant and the mechanism of lung oxidative damage

Jie Li,Haoran Song,Tao Luo,Yan Cao,Linfeng Zhang,Qun Zhao,Zhanchao Li,Xuewei Hu,Junjie Gu,Senlin Tian

Exposure to ozone (O 3 ) and nitrogen dioxide (NO 2 ) are related to pulmonary dysfunctions and various lung diseases, but the underlying biochemical mechanisms remain uncertain. Herein, the effect of inhalable oxidizing gas pollutants on the pulmonary surfactant (PS, extracted from porcine lungs), a mixture of active lipids and proteins that plays an important role in maintaining normal respiratory mechanics , is investigated in terms of the interfacial chemistry using in-vitro experiments; and the oxidative stress induced by oxidizing gases in the simulated lung fluid (SLF) supplemented with the PS is explored. The results showed that O 3 and NO 2 individually increased the surface tension of the PS and reduced its foaming ability; this was accompanied by the surface pressure-area isotherms of the PS monolayers shifting toward lower molecular areas, with O 3 exhibiting more severe effects than NO 2 . Moreover, both O 3 and NO 2 produced reactive oxygen species (ROS) resulting in lipid peroxidation and protein damage to the PS. The formation of superoxide radicals (O 2 •– ) was correlated with the decomposition of O 3 and the reactions of O 3 and NO 2 with antioxidants in the SLF. These radicals, in the presence of antioxidants, led to the formation of hydrogen peroxide and hydroxyl radicals ( • OH). Additionally, the direct oxidation of unsaturated lipids by O 3 and NO 2 further caused an increase in the ROS content. This change in the ROS chemistry and increased • OH production tentatively explain how inhalable oxidizing gases lead to oxidative stress and adverse health effects. In summary, our results indicated that inhaled O 3 and NO 2 exposure can significantly alter the interfacial properties of the PS, oxidize its active ingredients, and induce ROS formation in the SLF. The results of this study provide a basis for the elucidation of the potential hazards of inhaled oxidizing gas pollutants in the human respiratory system.

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JOURNAL OF POWER SOURCES · 2024 · IF 8.1

Humidity-independent NO2 gas sensors based on ZnO-NiOFx nanocomposites and the synergistic humidity-immune effect of fluorine doped NiO

Zhidong Jin,Yue Mou,Jinbo Zhao,Fei Liu,Lin Liu,Dewen Zhao,Shiqiang Li,Fenglong Wang,Jiurong Liu,Chang Liu,Lili Wu

Clean, alternative energy sources, especially fuel cells, are gradually attracting global attentions while the produced toxic nitrogen dioxide (NO 2 ) is a greatly hazardous chemical impacting their energy efficiencies. Metal oxide semiconductors (MOS) hold significant promise as NO 2 sensors. However, intensive humidity interaction intensifies signal drifts and reliable response inhibitions under variable humidity conditions. In this study, we present a novel approach to address this issue by engineering in-situ F-doped NiO nanocomposites (NiOF x ) decorated on ZnO snowflakes achieved through decomposition modulation of ZnOHF precursors. The optimized NO 2 sensor demonstrates unparalleled humidity-independence across a wide operating temperature range with prime sensitivity, low detection limit and rapid response/recovery. Matrix algorithm is also implemented in highly precise NO 2 identification under complicated atmospheric and humid conditions. Mechanism studies based on temperature programmed desorption (TPD), quasi in-situ X-ray photoelectron spectroscopy ( Quasi in-situ XPS) reveal that F − dopants facilitate interfacial electron transferring and inhibit oxygen activity. In-situ diffuse reflectance infrared Fourier transform spectroscopy ( In-situ DRIFTS) demonstrates that hygroscopic NiO and electronegative F − synergistically obstruct hydroxyl adsorptions on sensing materials. The innovative approach offers a promising solution for enhancing moisture resistance of MOS sensors for real-time NO 2 concentration monitoring in fuel cells and provides valuable insights into anti-humidity mechanisms.

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SENSORS AND ACTUATORS B-CHEMICAL · 2024 · IF 8

In-situ construction of Au NPs decorated hierarchical In2O3/SnIn4S8 microcubes for enhanced trace NO2 sensing performance at room-temperature

Yuchen Hou,Yongjiao Sun,Yimeng Dong,Bingliang Wang,Zhiyuan Lu,Zihan Wei,Zhaomin Tong,Wendong Zhang,Koichi Suematsu,Jie Hu

A series of Au NPs decorated hierarchical In 2 O 3 /SnIn 4 S 8 microcubes were prepared by in-situ growing SnIn 4 S 8 nanosheets on the surface of In 2 O 3 microcubes and followed by reducing Au NPs on the surface of the hierarchical composite. The gas sensing performance of the sensors based on the as-prepared materials were systematically assessed. And the results showed that coverage of SnIn 4 S 8 and introduction of appropriate amount of Au NPs improved the gas sensing response of In 2 O 3 toward NO 2 at room temperature (RT). In particular, the sensor fabricated with 3 wt% Au NPs decorated In 2 O 3 /SnIn 4 S 8 exhibited excellent selectivity (S NO2 /S other > 12.6), high response (155.65–7 ppm NO 2 ), low theoretical limit of detection (LOD, 21.43 ppb), fast response/recovery time (132/191 s), good anti-interference performance, as well as repeatability and stability. The outstanding sensing performance at RT might be associated with a synergistic effect of heterostructures and the spillover effect of Au NPs, which could enlarge the electron depletion layer and promote the adsorption and dissociation of oxygen and nitrogen dioxide molecules.

CAS / MDL: 22519-64-8
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SENSORS AND ACTUATORS B-CHEMICAL · 2024 · IF 8

Design synthesis of ZnO nanoparticles on Co3O4 nanosheet with rich oxygen vacancies for rapid detection of NO2 at room temperature

Bing Song,Lixue Qi,Hongyi Wu,Yan Tong,Li Li,Muhammad Ikram,Keying Shi

The solvothermal and wet chemical method was developed to synthesized the p-n heterostructures of the thin porous Co 3 O 4 nanosheets with ZnO nanoparticles. The resulting products were analyzed by using various characterization techniques. The results possessed that the presence of a large number of oxygen defects on the surface of Co 3 O 4 -ZnO-7 favors enhancing the NO 2 adsorption. Correspondingly, the formation of p-n heterojunction and the large surface area of the material itself increased the carrier density and exposed more active sites, which collectively boost the sensing performance to NO 2 . The sensor showed a high response of 45.7 (S = R a /R g ) to 100 ppm NO 2 at room temperature (RT = 25 °C), with a short response/recovery time (1.3/25 s), and the lower detection limit of the sensor reached 30 ppb, with good selectivity, reproducibility and stability. This study will offer the opportunity to develop new sensors with high response and fast response-recovery to NO 2 at room temperature.

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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2025 · IF 11.3

Mechanistic and Kinetic Study of Tetrabutylammonium Bromide for Facilitating NO2 Absorption in Sulfite Solutions with Inhibition of O2–Induced Oxidation

Jingwen Qian,Mingyi Yu,Zheng Lian,Shule Zhang,Qin Zhong

An innovative strategy in wet flue gas denitration technology was proposed to control nitrogen oxide emissions from cement kiln. Here the use of tetrabutylammonium bromide (TBAB) as an additive improved the absorption and utilization efficiency of sulfite absorbents for NO2. Compared with the sulfite solution, the stability time and absorption efficiency of adding TBAB were increased from 25 to 76 min and from 91.2 to 98.4%, respectively. Continuous absorption for 480 min indicated the feasibility of TBAB for repeated use. Moreover, we propose an antioxidant mechanism, including the capture of SO3•– by TBA+, and the reduction of SO3•– by Br–. The successive steps kept the sulfite from the cyclic depletion of the radical chain reaction of “Generate SO3•–-Introducing O2–Consuming SO32–” due to O2. A new application of TBAB in free radical trapping and antioxidant is given. Furthermore, a kinetic model describing the macroscopic absorption rate was developed based on different operating conditions.

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JOURNAL OF THE ELECTROCHEMICAL SOCIETY · 2022 ·Vol. 169 ·期 8 ·087505 · IF 4.386

Enhancement of Ammonia Sensors Using In2O3 Sensing Electrode by Adjusting Particle Size and NiCo2O4 Reference Electrode

Lin Yang,Chunping Wu,Yiran Zhang,Bang Xiao,Anqi Jiao,Ke Li,Ting Chen,Reggie Zhan,He Lin

A mixed potential ammonia sensor using In2O3 sensing electrode was prepared, and its sensing performance was enhanced by adjusting particle size with calcination heating rate as well as the utilization of NiCo2O4 reference electrode. It was found that the sensor with a calcination heating rate of 2 °C min−1 had the best performance, with a sensitivity of −61.27 mV decade−1 at 525 °C, and the TEM results showed that the average particle size was 70.36 nm. Furthermore, the sensor exhibited good stability against oxygen concentration fluctuation. The results also indicated that the mixed potential has a linear relationship with the logarithm of NH3 concentration, suggesting that the ammonia sensors in this study conform to the mixed potential theory. To address the issue that most ammonia sensors are susceptible to NO2 interference, NiCo2O4 was used as reference electrode to replace the Pt reference electrode, which could greatly offset the response of NO2 and improve the sensors selectivity. In summary, the developed In2O3/YSZ/NiCo2O4 sensor exhibited a great potential for NH3 monitoring in SCR systems.

研究领域: 材料科学 · 电化学 · 环境监测
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SENSORS AND ACTUATORS B-CHEMICAL · 2026 · IF 7.7

Zn doped In2O3 microtubes derived from zinc nitrate solution etched MIL-68-In for enhancing NO2 sensing property at room temperature

Yan Jiang,Yuying Xin,Hui Zhao,Xianfa Zhang,Ping Wang,Rui Gao,Yingming Xu,Shan Gao,Xiaoli Cheng,Lihua Huo

The reasonable design and preparation of high-performance sensing materials for detecting NO 2 is of importance to environmental conservation and public health. Herein, porous Zn-doped In 2 O 3 microtubes were fabricated by simple Zn(NO 3 ) 2 solution etching of In-MOF microrods, followed by calcination at 500 ℃ in air. The experiment has confirmed that appropriate amount of Zn introduced into In 2 O 3 can optimize electronic structure, increase the number of oxygen vacancy and efficiently improve NO 2 sensing property. In particular, compared with pristine In 2 O 3 , Zn-In 2 O 3 sensor exhibits excellent selectivity, high response, fast recovery speed (32 s) and lower limit of detection (LOD, 20 ppb) at room temperature. Meanwhile, the Zn-In 2 O 3 sensor also presents outstanding reproducibility, stability and humidity resistance. The excellent gas sensing property is traced to the construction of the hollow and porous structure and the synergistic optimization of Zn doping. This endeavor yields a simple strategy for the design of high-property gas sensing materials.

CAS / MDL: 100-21-0
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