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"Highly selective gas sensors for formaldehyde detection based on ZnO@Z" by Yue Zhang, Mingyue Wang et al.

Formaldehyde is a hazardous volatile organic pollutant commonly found indoors, making selective and accurate detection of formaldehyde crucial. To achieve this, ZnO@ZIF-8 core-shell heterostructures were fabricated using the sacrificial template method, where the 3D ZnO flower-like structures served as the core material. This innovative approach utilizing the ZIF-8 shell as a “selective gas filter” offers a novel pathway for enhancing the selectivity of formaldehyde sensors. Subsequent investigations revealed that the thickness of the ZIF-8 shell significantly influences the material's performance. Among various configurations tested, the 2-ZnO@ZIF-8 sensor demonstrates the best formaldehyde detection properties, including high response (5 ppm, 5.03), excellent selectivity, short response and recovery times (29/40 s), excellent long-term stability, and a low theoretical detection limit (12.86 ppb) at 175 °C. The enhanced sensing properties can be attributed to the ZIF-8 surfa ....

Core Shell Heterostructures , Dft Calculations , Ormaldehyde Sensing , Eolite Imidazolate Frameworks , No Flower Like Structures ,

"Ti3C2Tx/SnO2 P–N heterostructure construction boosts room-temperature " by Yue Zhang, Ming Yue Wang et al.

Formaldehyde is a common atmospheric pollutant produced in industrial production and daily life. However, the traditional semiconductor formaldehyde gas sensor cannot work at room temperature, which limits its practical application. Therefore, developing high-performance gas sensors for rapidly and accurately detecting formaldehyde at room temperature is an important topic. In this study, Ti3C2Tx/SnO2 heterostructures were constructed, which could selectively detect formaldehyde at room temperature with a response value of 29.16% (10 × 10–6). In addition, the sensor shows a remarkable theoretical detection limit of 5.09 × 10–9 and good long-term stability. Density functional theory (DFT) simulations reveal that SnO2 nanospheres provide the majority of adsorption sites that strongly interact with formaldehyde. Meanwhile, Ti3C2Tx acting as a conductive layer facilitates the transfer of charge carriers so that they show a sensing response to formaldehyde at room temperature. Moreove ....

Dft Calculations , Ormaldehyde Sensing , Nn Heterostructures , Room Temperature , Ict Sno Nanocomposites 3 2x 2 ,

"In Situ Fabrication of SnS2/SnO2 Heterostructures for Boosting Formald" by Dan Meng, Zongsheng Xie et al.

Formaldehyde, as a harmful gas produced by materials used for decorative purposes, has a serious impact on human health, and is also the focus and difficulty of indoor environmental polution prevention; hence, designing and developing gas sensors for the selective measurement of formaldehyde at room temperature is an urgent task. Herein, a series of SnS2/SnO2 composites with hollow spherical structures were prepared by a facile hydrothermal approach for the purpose of formaldehyde sensing at room temperature. These novel hierarchical structured SnS2/SnO2 composites−based gas sensors demonstrate remarkable selectivity towards formaldehyde within the concentration range of sub-ppm (0.1 ppm) to ppm (10 ppm) at room temperature. Notably, the SnS2/SnO2−2 sensor exhibits an exceptional formaldehyde-sensing performance, featuring an ultra-high response (1.93, 0.1 ppm and 17.51, 10 ppm), as well as good repeatability, long-term stability, and an outstanding theoretical detection limit. The ....

Dft Calculations , Ormaldehyde Sensing , Nn Heterostructures , Room Temperature , Ns Sno 2 ,

"Discovery of Redox-Promoted Brønsted Acid Catalysis in the Gold(III)-C" by Kaveh Farshadfar, Andrew J. Tague et al.

This study discovers a mechanism called redox-promoted Brønsted acid activation using DFT calculations through mechanistic elucidation of the phenol and cyclohexadiene annulation catalyzed by the AuCl3/AgOTf mixed system. According to this mechanism, triflic acid (HOTf) is likely to be the active catalyst generated in situ as a result of the irreversible reduction of gold(III) to gold(I). The corresponding annulation reaction proceeds through two linked catalytic cycles, the first of which conducts the hydroarylation of diene with phenol and is significantly faster than the second, which produces the observed product via intramolecular cyclization. The [OTf]-counteranion of HOTf is found to play an important role in preventing the polymerization of cyclohexadiene. To confirm that HOTf is the active catalyst in both catalytic cycles of the annulation process, we performed experiments with HOTf as the catalyst and achieved the same product as when AuCl3/AgOTf was used as the catalyst. A ....

Dft Calculations , Old Catalysis , Ba Mechanism , Mechanistic Investigation ,

"Atomically dispersed Ni induced by ultrahigh N-doped carbon enables st" by Keming Song, Jiefei Liu et al.

Building phase interface with enough solid-phase contact is of great importance for improving chemical reaction kinetics and depth. High dispersion of electrode materials, especially at the atomic-level, are known for high interface contact, yet their potential application in batteries is restricted due to low loading. Herein, the atomically dispersed metal Ni (Ni in Ni–N–C is 54.9 wt %) with high loading was achieved by ultrahigh N-doping carbon (N/N–C:29.5 wt %) during the discharging process of nickel sulfide, leading to good reversibility and high-capacity maintenance owing to ultrahigh phase contact during long cycling for sodium-ion batteries. It delivers a stable cycling life (0.061% capacity decay per cycle) compared with the poor cyclability (0.418%) for the Ni agglomeration electrode with lower N-doping. The assembled pouch cells achieve robust stability (92.1% after 50 cycles). DFT calculations reveal that ultrahigh N-doping and electrochemically formed Na2S can provid ....

Atomic Level Ni , Conversion Reaction , Dft Calculations , Igh Capacity Anode , Nickel Sulfide , Phase Interface , Pouch Cell , Dg7 Affordable And Clean Energy , Sodium Ion Batteries , Ltrahighn Doping ,