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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2024 · IF 8.1

High-efficient and selective hydrogen gas sensor based on bimetallic Ag/Cu nanoparticles decorated on In2O3: Experimental and DFT calculation

Peilin Jia,Dongzhi Zhang,Xingyan Shao,Jieshuo Zhai,Jishun Guo,Zijian Wang,Xinyi Ji

Hydrogen (H 2 ), as a clean energy source, exhibits significant promise in the realm of new energy vehicles. Utilizing hydrogen sensors with rapid response and high selectivity is crucial for monitoring vehicles and preventing hydrogen leakage incidents. In this study, In 2 O 3 nanomaterials were synthesized via a hydrothermal approach and effectively modified with Ag/Cu bimetallic nanoparticles to fabricate high-performance hydrogen sensors. The optimal work temperature for the Ag/Cu–In 2 O 3 sensor is determined to be 300 °C. At this temperature, the sensor exhibited a response of 9.66–100 ppm H 2 , which is four times higher than the pristine In 2 O 3 sensor. Excellent H 2 selectivity and outstanding long-term stability were exhibited by the sensor in typical interference gas environments encountered in new energy vehicles. The significant enhancement in sensor performance is attributed to the electronic and chemical sensitization effects of Ag/Cu bimetals and the synergistic effects of bimetallic modification. Additionally, computational studies based on density functional theory (DFT) further elucidated the reasons for the improved H 2 gas sensing performance of Ag/Cu–In 2 O 3 nanocomposites. The Ag/Cu–In 2 O 3 nanocomposites show great potential for hydrogen detection applications in the sensor field.

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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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CHEMISTRY & BIODIVERSITY · 2024 ·Vol. 21 ·期 3 ·e202301795 · IF 2.3

High Selectivity of A Novel Pillar[5]arene with Ester Units as a Gas Chromatographic Stationary Phase toward Aromatic Isomers

Wen Li,Mengyi Ba,Yanli Song,Yuanyuan Zhang,Xiang Xu,Haixin Liu,Leyao Li,Xinyi Liu,Zhiqiang Cai,Tao Sun

This work reports the first example of employing ester-functionalized pillar[5]arene (P5A-C10-OAc) stationary phase for gas chromatography (GC) separations. The as-fabricated P5A-C10-OAc column achieved improved column efficiency of 4270 plates/m and separation performance in contrast to the P5-C10-Br column. The P5A-C10-OAc column showed good separation performance for a wide range of analytes such as alkanes, bromoalkanes, ketones, fatty acid methyl esters, aldehydes, alcohols, halobenzenes, anilines, phenols, naphthalenes, and showed sharp and symmetrical peak shapes for analytes that are liable to peak-tailing in GC analysis. As testified by the challenging isomer mixtures (bromonitrobenzene, chloronitrobenzene, bromobenzaldehyde, chlorobenzaldehyde, nitrobenzaldehyde), the P5A-C10-OAc column exhibited comprehensively higher separation capability than the P5A-C10-Br, P5A-C10 and commercial HP-35 columns. This work demonstrates the great potential of pillararene-based stationary phases as a new type of stationary phases for GC separations. Graphical

CAS / MDL: 30525-89-4
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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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ACS Sensors · 2024 · IF 8.2

Kinetic Modeling in Temperature-Modulated Semiconductor Gas Sensor Utilizing Eley–Rideal Mechanism and Its Application in Discriminative Detection of VOCs

Wei Zhang,Zhenyu Yuan,Hongmin Zhu,Shouwen Zhang,Fanli Meng

This study presents a comprehensive kinetic investigation for describing the dynamic sensing process of semiconductor metal oxide (SMO)-based gas sensors, with a focus on the Eley–Rideal mechanism as a valid pathway. The modeling elucidates the direct interactions between volatile organic compounds (VOCs) and adsorbed oxygen on the material surface, providing insights into the temperature-dependent response characteristics of the sensor and addressing selectivity toward different VOCs fundamentally. By incorporating the effects of thermal modulation, the kinetic model was validated through theoretical fitting of experimental data obtained from a fabricated SnO2 nanoparticle gas sensor exposed to ethanol, n-propanol, toluene, and butanone at systematically varying operating temperatures. The results demonstrated that the model accurately captures response transient values, enabling a general framework for qualitatively discriminating specific gases based on their unique reaction kinetics. Furthermore, a machine learning procedure containing the above model and power laws of quantitative concentrations after identifying compounds was developed for the prediction of target VOCs. The qualitative accuracy was determined to be 99.4%, while quantifying with the mean absolute errors of 5.0, 7.5, 4.0, and 8.9 within the range of 25–200 ppm, respectively. The precise and straightforward strategy facilitates the response modeling of SMO-based gas sensors, offering a valuable platform for the designing model-driven algorithms applicable in gas analysis and monitoring.

CAS / MDL: 10025-69-1
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RENEWABLE ENERGY · 2024 · IF 9

Insights into oxidant matching with green gas generator 5-aminotetrazole from aspects of thermal decomposition behavior, kinetics and combustion mechanism

Shu-Na Zhao,Mi Li,Hao Liu,Zhong-Xuan Han,Jiu Chen,Lin Jiang

The green gas generator 5-aminotetrazole (5-AT) is widely applied as an energetic material due to its exceptional characteristics. To investigate the impact of oxidants on the decomposition performance of 5-AT, we prepared three samples using three different oxidants (Sr(NO 3 ) 2 , KNO 3 , and KClO 4 ) along with 5-AT under the principle of zero oxygen balance. Then, thermal behavior of the three samples was examined using TG-DTA and TG-FTIR, and their activation energies for each reaction stage were calculated using iso-conversional methods. Results show that the decomposition of these samples occurs in multiple reaction stages and all oxidants, particularly KNO 3 , facilitate the thermal decomposition of 5-AT. Furthermore, the detailed decomposition mechanism of 5-AT with oxidants was speculated, including that there are two simultaneous ring-opening paths in the first thermal decomposition step of each 5-AT isomer. Eventually, this research can give a meaningful instruction to the formulation design of gas-generation propellant with fewer restrictions in their application.

CAS / MDL: 7778-74-7
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SENSORS AND ACTUATORS B-CHEMICAL · 2025 · IF 7.7

Dual-gas sensing via SnO2-TiO2 heterojunction on MXene: Machine learning-enhanced selectivity and sensitivity for hydrogen and ammonia detection

Ao Zhang,Yan Zhang,Weihua Cheng,Xinran Li,Kai Chen,Fangjie Li,Dongye Yang

This study presents a novel strategy for the rapid detection of hydrogen and ammonia gases through the synthesis of a composite material that integrates SnO 2 and TiO 2 into an n-n heterostructure on the surface of two-dimensional layered Ti 3 C 2 Tx MXene. The incorporation of Pd nanoparticles significantly enhances the sensor's adsorption and sensing capabilities, particularly for hydrogen. The resulting dual-gas sensor demonstrates a pronounced linear response to hydrogen with a low detection limit of 200 ppb, along with rapid response times, excellent repeatability and long-term stability. Leveraging MXene's superior ammonia adsorption properties, the sensor also exhibits commendable linearity and robustness in detecting ammonia, with strong resistance to humidity-induced interference. To further improve the sensor's performance, machine learning techniques such as support vector machine (SVM) and artificial neural network (ANN) are incorporated, substantially enhancing the sensor's selectivity and sensitivity of the detection. These advancement enables the precise identification and quantification of complex gas mixtures containing hydrogen and ammonia. The sensor’s meticulously designed circuitry operates in real-time sensing mode, ensuring accurate differentiation between the two gases. This research establishes a robust foundation for the development of advanced gas sensing technology, showcasing its potential for multi-gas detection and analysis across diverse industrial and environmental applications.

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JOURNAL OF MOLECULAR LIQUIDS · 2024 · IF 5.3

Dimerization and Dissociation: The Rate-Controlling steps of molecular Self-Assembly during solution nucleation determined by variation of gas media

Wei Du,Yiping Liu,Yifang Gao,Longjing Bai,Lei Zhang,Penggao Cheng,Na Tang

To further probe into the link between solution chemistry and nucleation processes experimental and computational data are presented on unsaturated, saturated, and supersaturated solutions and in situ monitoring of nucleation chemistry of p-chlorobenzoic acid (PCBA), p-methoxybenzoic acid (PMBA) and p-nitrobenzoic acid (PNBA), three benzoic acid derivatives with different properties of para-substituents. By variation of the gas media, we were able to establish that hydrogen-bonded dimers (HD) are the basic building unite in solution for clusters and nucleuses despite of the gases and solvents, and there is a strong link between the supersaturated solution chemistry and the intrinsic supersaturation ratio, and the nucleation kinetics. Two different molecular self-assembly pathways and the rate-controlling steps were discussed, which paves new aspects for understanding the role of solution chemistry in directing nucleation processes.

CAS / MDL: 74-11-3 62-23-7
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JOURNAL OF CHROMATOGRAPHY A · 2024 · IF 3.8

A microchip gas chromatography column assembly with a 3D metal printing micro column oven and a flexible stainless-steel column

Hu Meng,Yuyu Wei,Liang Feng

In this work, a microchip gas chromatography (GC) column assembly utilizing a three-dimensional (3D) printed micro oven and a flexible stainless steel capillary column was developed. The assembly's performance and separation capabilities were characterized. The key components include a 3D printed aluminum plate (7.50 × 7.50 × 0.16 cm) with a 3-meter-long circular spiral channel, serving as the oven, and the column coiled on the channel with an inner diameter of 320 μm and a stationary phase of OV-1. A heating ceramic plate was affixed on the opposite side of the plate. The assembly weighed 40.3 g. The design allows for easy disassembly, or stacking of heating devices and columns, enabling flexibility in adjusting column length. When using n -C 13 as the test analyte at 140 °C, a retention factor ( k ) was 8.5, and 7797 plates (2599 plates/m) were obtained. The assembly, employing resistance heating, demonstrated effective separation performance for samples containing alkanes, aromatics, alcohols and ketones, with good reproducibility. The reduction in theoretical plates compared to oven heating was only 2.95 %. In the boiling point range of C 6 to C 18 , rapid temperature programming (120 °C/min) was achieved with a power consumption of 119.512 W. The assembly was successfully employed to separate benzene series compounds, gasoline and volatile organic compounds (VOCs), demonstrating excellent separation performance. This innovative design addresses the challenges of the complexity and low repeatability of the fabrication process and the high cost associated with microchip columns. Furthermore, its versatility makes it suitable for outdoor analysis applications.

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MICROPOROUS AND MESOPOROUS MATERIALS · 2024 · IF 4.8

Micropore system properties significantly influence the Na-type zeolite adsorption of the carbon disulfide impurity in mimetic coke oven gas

Hao Zhou,Zhe Hong,Lijiao Ma,Yingyuan Tan,Jingcheng Xu,Wenzhi Jia,Junhui Li

The experiments of the adsorption removal of CS 2 impurity from a mimetic coke oven gas were performed by using a series of Na-type zeolites as adsorbents. Combining with the diffusion & simulation calculations and several characterizations, it's found both the development degree and the diffusion ability of microporous systems significantly influence the adsorption performance of these Na-type zeolites on which the physical absorption was predominant for CS 2 molecules. Firstly, compared with NaZSM-5 or NaSAPO-34, the NaY with FAU-type framework exhibited a much higher breakthrough adsorption capacity, primarily due to its much higher microporous surface area & volume and larger-size channels, which ensured a broader adsorption space, a high-efficiency molecule-diffusion and a high adsorption utilization of micropores. Secondly, alkali-treatment introduced some mesopores into NaZSM-5 crystals but also resulted in a declined integrity of microporous structure, causing an obvious decline of adsorption performance. Thirdly, the nano-crystal NaZSM-5 or NaY exhibited a much higher breakthrough adsorption capacity than that of the corresponding micron-crystal zeolite, primarily attributed to both the increased microporous surface area & volume and the shortened micropore diffusion-path length of the former. In addition, a breakthrough adsorption capacity of up to 0.251 g/g was obtained in the first adsorption use of a nano-NaY-0.909 sample at 298 K, and it's 0.229 g/g in even the sixteenth time of operation (by then, total adsorption service hours were 80.58 h). Our work may provide an important reference for developing high-performance adsorbents for removing gaseous CS 2 impurity in coke oven gas.

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Small · 2024 · IF 13

Platelet Membrane Coated Cu9S8-SNAP for Targeting NIR-II Mild Photothermal Enhanced Chemodynamic/Gas Therapy of Triple-Negative Breast Cancer

Danping Wu,Xiaoyi Chen,Shijie Yao,Yichen He,Gongning Chen,Xiaojuan Hu,Yang Chen,Zhenye Lv,Jing Yu,Ketao Jin,Yu Cai,Xiaozhou Mou

Triple-negative breast cancer (TNBC) is a highly aggressive and uncommon subtype of breast cancer with a poor prognosis. It is crucial to prioritise the creation of a nanotherapeutic method that is highly selective and actively targeting TNBC. This study explores a new nanosystem, Cu 9 S 8 -SNAP@PM (C-S@P), composed of Cu 9 S 8 -SNAP coated with a platelet membrane (PM). The purpose of this nanosystem is to cure TNBC using multimodal therapy. The utilisation of PM-coated nanoparticles (NPs) enables active targeting, leading to the efficient accumulation of C-S@P within the tumour. The Cu 9 S 8 component within these NPs serves the potential to exert photothermal therapy (PTT) and chemodynamic therapy (CDT). Simultaneously, the S-Nitroso-N-Acetylvanicillamine (SNAP) component enables nitric oxide (NO) gas therapy (GT). Furthermore, when exposed to NIR-II laser light, Cu 9 S 8 not only increases the temperature of the tumour area for PTT, but also boosts CDT and stimulates the release of NO through thermal reactions to improve the effectiveness of GT. Both in vitro and in vivo experimental results validate that C-S@P exhibits minimal side effects and represents a multifunctional nano-drug targeted at tumors for efficient treatment. This approach promises significant potential for TNBC therapy and broader applications in oncology.

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ENERGY & FUELS · 2024 · IF 5.2

Simultaneous Desulfurization and Denitrification by H2O2/FeSO4 Preoxidation Combined with Wet Flue Gas Desulfurization Postabsorption: Experimental Investigation and Process Simulation

Jia-tao Xiang,Jun-ting Li,Xiong Zhang,Han Zhang,Shao-hui Ren,Shi-hong Zhang

This study focused on the development of a novel process of H2O2/FeSO4 preoxidation combined with wet flue gas desulfurization (WFGD) postabsorption for simultaneous desulfurization and denitrification, and recovery of sulfur and nitrogen from flue gas. The results show that when no oxidant is added, the denitrification efficiency by WFGD is only 5.3%, while under the H2O2/FeSO4 preoxidation, the desulfurization and denitrification efficiency can reach 99.9% and 83.6%, respectively. When the liquid/gas ratio reaches 18 L·m–3, the desulfurization efficiency is nearly 100%, and the denitrification efficiency can reach 90.6% due to the increased liquid/gas contact area and improved heat and mass transfer. The absorption process of SO2 and NOx involves both physical and chemical absorption, which is dominated by physical absorption, and the absorption characteristics are multilayer absorption. The desulfurization products CaSO3 and CaSO4, and the denitrification products Ca(NO2)2 and Ca(NO3)2, are absorbed by the CaCO3 slurry. The Aspen Plus process simulation results show that the desulfurization and denitrification efficiencies are 99.5% and 89.6%, respectively, and the concentrations of SO2 and NOx in the flue gas are 21.4 mg·m–3 and 41.5 mg·m–3, respectively, which meet the ultralow emission standards. In addition, the H2O2/NO molar ratio, oxidation temperature, and SO2 concentration have an important effect on the NO conversion, which then affects the denitrification efficiency.

CAS / MDL: 471-34-1
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