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oe1(光电查) - 科学论文

3 条数据
?? 中文（中国） ▾

  • First-principles investigation on detection of phosgene gas molecules using phosphorene nanosheet device

    摘要： Non-Equilibrium Green’s function (NEGF) and density functional theory (DFT) method is employed in exploring the geometric, electronic and adsorption aspects of phosgene (COCl2) on phosphorene nanosheet based molecular device. Further, the attributes such as Bader charge transfer, energy band gap, and average energy gap variation assists in scrutinizing the surface assimilating properties of COCl2 gas on phosphorene nanosheet. Besides, the detection properties of COCl2 gas molecules using the phosphorene nanosheet device are evidenced by the transmission spectrum and V-I characteristics. Thus, the current work establishes the foundation for employing phosphorene nanosheet based molecular device in sensing COCl2 gas molecules.

    关键词： Nanosheet,Phosgene,Adsorption,Density of states,Phosphorene

    更新于2025-09-19 17:15:36

  • Rapid, Specific, and Ultrasensitive Fluorogenic Sensing of Phosgene through an Enhanced PeT Mechanism

    摘要： We report the design of an enhanced PeT-based fluorogenic phosgene probe 1-CN comprising a BODIPY fluorescence reporter, and a catechol quencher at the meso-position acting as the phosgene reaction site. The fluorescent catechol-derived probe 1-CN specifically reacts with phosgene to result in a cyclic carbonate ester. The fast (< 3 s) reaction suppresses a reductive PeT quenching process, leading to a fluorescence turn-on signal (up to ca. F/F0 ~ 1300). The high sensitivity (LOD = 24 pM) of the probe is achieved by the precise adjustment of the energy levels of the frontier orbitals involved in the PeT.

    关键词： BODIPY,Phosgene,Fluorescent turn-on probe,Photoinduced electron transfer (PeT),Sensing

    更新于2025-09-10 09:29:36

  • A colorimetric and ratiometric fluorescent probe with ultralow detection limit and high selectivity for phosgene sensing

    摘要： Phosgene is a kind of colourless and extreme toxic gas that poses a serious threat to public health and safety. A colorimetric and ratiometric fluorescent probe (AC-6ED), with anthracene carboximide as fluorophore and ethylenediamine group as recognition moiety has been developed for phosgene detection in solutions and in the gas phase based on the intramolecular charge transfer (ICT) mechanism. The AC-6ED traps phosgene molecule via intramolecular cyclization reaction to afford color and fluorescence emission change. The AC-6ED features low detection limit (0.09 nM), fast response (< 20 s), remarkable colorimetric and ratiometric signal, excellent selectivity for phosgene over other interference analytes such as nerve agent mimics, various acyl chlorides and analogues. The AC-6ED loaded TLC plate can serve as a highly selective tool for phosgene sensing in the gas phase below health risk concentrations in a fast, portable, visible, and highly sensitive manner.

    关键词： ratiometric fluorescence,phosgene,fluorescent probe,anthracene carboximide

    更新于2025-09-04 15:30:14