Here we report the synthesis of a trisubstituted‐1,2,3‐triazole‐linked polymer using a topochemical azide‐alkyne cycloaddition (TAAC) reaction. A cyclitol‐derived monomer having an azide and an internal alkyne group was designed. The four hydroxy groups present in this monomer dictate its crystal packing such that the monomer molecules are arranged head‐to‐tail, thereby placing the internal alkyne and the azide units of adjacent molecules proximally. Although the alignment of the reactive groups in the monomer crystal is not favourable for a topochemical reaction, a reactive orientation can be achieved by the rotation of the reactive groups. Upon heating the crystals, the monomer underwent topochemical polymerization to yield the trisubstituted‐1,2,3‐triazole‐linked‐polycyclitol. This study demonstrates a new synthetic strategy for cycloaddition reaction between non‐polarized internal alkynes and azides to yield trisubstituted triazoles.
Ni-rich LiNi1–x–y Co x Mn y O2 (1 – x – y > 0.5) (NCMs) cathode materials have shown great promise in energy-intensive applications, such as electric vehicles. However, as many layered cathodes do, they suffer from structural and electrochemical degradation during cycling. In this study, we show that Nd- and Y-doped materials, Li(Ni0.85Co0.1Mn0.05)0.995Nd0.005O2 and Li(Ni0.85Co0.1Mn0.05)0.995Y0.005O2, have significantly better structural, electrochemical, and thermal properties compared to the reference LiNi0.85Co0.1Mn0.05O2 (NCM85) due to enhanced structural stability. The doped electrodes were found to have significantly higher specific discharge capacities, better capacity retention, and lower voltage hysteresis compared to the reference (undoped) electrodes. SEM images of the focused-ion beam (FIB) cut of the particles of the doped material showed that they have less cracks when compared with those of the reference material, thus demonstrating the tight connection between the structural and electrochemical properties of the cathodes. Furthermore, thermal studies of the cathode materials showed that doping with Nd or Y enhances the thermal stability of NCM85 compared to the reference material. Finally, using density functional theory we calculated several electronic and thermodynamic properties. These calculations suggest that dopant–oxygen bonds are stronger than M–oxygen bonds (M = Ni, Co, Mn), providing a rationale for the structural stability induced by Nd- and Y-doping.
Here we report the synthesis of a trisubstituted-1,2,3-triazole-linked polymer using a topochemical azide-alkyne cycloaddition (TAAC) reaction. A cyclitolderived monomer having an azide and an internal alkyne group was designed. The four hydroxy groups present in this monomer dictate its crystal packing such that the monomer molecules are arranged head-to-tail, thereby placing the internal alkyne and the azide units of adjacent molecules proximally. Although the alignment of the reactive groups in the monomer crystal is not favourable for a topochemical reaction, a reactive orientation can be achieved by the rotation of the reactive groups. Upon heating the crystals, the monomer underwent topochemical polymerization to yield the trisubstituted-1,2,3-triazole-linked-polycyclitol. This study demonstrates a new synthetic strategy for cycloaddition reaction between non-polarized internal alkynes and azides to yield trisubstituted triazoles.
Despite their high theoretical capacity, the practical application of Li‐ion batteries (LIBs) and post‐LIBs with metal anodes are limited due to their poor safety and electrochemical performance. Solid electrolyte interface (SEI) was found to have an important role in this. It was found that SEI on metal anodes is overgrown and non‐uniform owing to their high reactivity, which in turn affects the performance of metal anode‐based batteries. Recent studies indicate that modulating the properties of the SEI is a good strategy to improve the electrochemical performance of batteries. In this regard, identifying the critical reactivity descriptors that can provide insights into the SEI formation kinetics is of large importance. Herein, we performed computational studies involving 53 selected ion‐solvent complexes that represent 53 commonly used electrolytes and 12 salt molecules in LIBs and post‐LIBs. Unlike previous studies which considered the LUMO energy of the electrolyte as the suitable chemical reactivity descriptor, this study shows that electron affinity and electrophilicity of the individual ions and solvents that constitute the electrolytes are more suitable and general chemical reactivity descriptors for predicting the SEI formation kinetics. In addition to suggesting suitable approaches to modulate the SEI formation kinetics, this study also brings light to the critical role of the ion‐solvent combination in determining the SEI formation kinetics.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.