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Hydrogen bonding promoted simple and clean photo-induced reduction of C–X bond with isopropanol
摘要： We herein report a simple and clean photo-induced metal-free reduction of C–X bond under an atmosphere of air at room temperature. Isopropanol is used as both the reducing reagent and solvent. Various functional groups (acids, esters, alcohols, anilines, phenols, indoles, pyridines, cyano and trifluoromethyl groups) and other heterocyclic compounds are tolerated. Different organic halides (including C–I, C–Br and C–Cl bonds) can be dehalogenated with moderate to excellent yields. Polyhalides are also reduced chemoselectively and efficiently. DFT calculation suggests a six-membered ring transition state via C–X···H–O hydrogen bonding to decrease the activation energy.
关键词： metal-free,isopropanol,DFT calculation,hydrogen bonding,photo-induced reduction,C–X bond
更新于2025-09-19 17:15:36
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Solvent engineering of LiTFSI towards high-efficiency planar perovskite solar cells
摘要： The performance and stability of perovskite solar cell (PSC) are inseparable from the quality of perovskite film, and the solvent engineering is being seemed as an effective strategy to enhance the properties of perovskite. Acetonitrile (ACN) is often used as a solvent to dissolve bis(trifluoromethane)sulfonimide lithium salt (LiTFSI), but ACN can corrode the perovskite film, which hinders the promotion of PSC efficiency and durability. Herein, a solvent engineering approach is implemented to search for suitable alternatives for ACN to abate the degradation of the perovskite films. The results demonstrate that isopropanol (IPA) with smaller polarity can effectively dissolve LiTFSI and slow down the degradation of the perovskite layer compared with ACN, which can result in the reduction of defects as well as the nonradiative recombination. Consequently, the devices using LiTFSI/IPA as additive achieve superior power conversion efficiencies (PCEs) with relatively less hysteresis effects and get a champion PCE of 19.43%, while the device using LiTFSI/ACN gets an inferior PCE of 17.12%.
关键词： Trap density,Nonradiative recombination,Solvent engineering,Isopropanol,Perovskite solar cells
更新于2025-09-16 10:30:52
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Dewetting of monolayer water and isopropanol between MoS2 nanosheets
摘要： Understanding dewetting of solvent molecules confined to layered material (LM) interfaces is crucial to the synthesis of two-dimensional materials by liquid-phase exfoliation. Here, we examine dewetting behavior of water and isopropanol/water (IPA/H2O) mixtures between molybdenum disulfide (MoS2) membranes using molecular dynamics (MD) simulations. We find that a monolayer of water spontaneously ruptures into nanodroplets surrounded by dry regions. The average speed of receding dry patches is close to the speed of sound in air. In contrast, monolayer mixtures of IPA/H2O between MoS2 membranes slowly transform into percolating networks of nanoislands and nanochannels in which water molecules diffuse inside and IPA molecules stay at the periphery of islands and channels. These contrasting behaviors may explain why IPA/H2O mixtures are much more effective than H2O alone in weakening interlayer coupling and exfoliating MoS2 into atomically thin sheets.
关键词： molecular dynamics simulations,liquid-phase exfoliation,isopropanol/water mixtures,two-dimensional materials,layered material interfaces,dewetting,solvent molecules,MoS2 membranes
更新于2025-09-10 09:29:36