This review on polymorphism is a personal, non-comprehensive view on the field of polymorphism -a term which is often misused. Indeed, the discussion about polymorphism and related terms is still ongoing in the area of crystal engineering. This is why we felt it timely to look into the historical development of its definition and to delimit it. A short introduction to thermodynamic aspects and characterization methods of polymorphs is given. One chapter is then dedicated to polymorphism of elements and inorganic compounds, before discussing the term for organic and organo-metallic compounds. Chosen examples are given each time to illustrate the cases of polymorphism. In the end, the conclusion yields three flow schemes useful in determining polymorphism for each compound class.
BackgroundLiCoO2 is one of the most used cathode materials in Li-ion batteries. Its conventional synthesis requires high temperature (>800 °C) and long heating time (>24 h) to obtain the micronscale rhombohedral layered high-temperature phase of LiCoO2 (HT-LCO). Nanoscale HT-LCO is of interest to improve the battery performance as the lithium (Li+) ion pathway is expected to be shorter in nanoparticles as compared to micron sized ones. Since batteries typically get recycled, the exposure to nanoparticles during this process needs to be evaluated.ResultsSeveral new single source precursors containing lithium (Li+) and cobalt (Co2+) ions, based on alkoxides and aryloxides have been structurally characterized and were thermally transformed into nanoscale HT-LCO at 450 °C within few hours. The size of the nanoparticles depends on the precursor, determining the electrochemical performance. The Li-ion diffusion coefficients of our LiCoO2 nanoparticles improved at least by a factor of 10 compared to commercial one, while showing good reversibility upon charging and discharging. The hazard of occupational exposure to nanoparticles during battery recycling was investigated with an in vitro multicellular lung model.ConclusionsOur heterobimetallic single source precursors allow to dramatically reduce the production temperature and time for HT-LCO. The obtained nanoparticles of LiCoO2 have faster kinetics for Li+ insertion/extraction compared to microparticles. Overall, nano-sized LiCoO2 particles indicate a lower cytotoxic and (pro-)inflammogenic potential in vitro compared to their micron-sized counterparts. However, nanoparticles aggregate in air and behave partially like microparticles.Electronic supplementary materialThe online version of this article (doi:10.1186/s12951-017-0292-3) contains supplementary material, which is available to authorized users.
The multideterminental-DFT approach performed to analyze Jahn-Teller (JT) active molecules is described. Extension of this method for the analysis of the adiabatic potential energy surfaces and the multimode JT effect is presented. Conceptually a simple model, based on the analogy between the JT distortion and reaction coordinates gives further information about microscopic origin of the JT effect. Within the harmonic approximation the JT distortion can be expressed as a linear combination of all totally symmetric normal modes in the low symmetry minimum energy conformation, which allows calculating the Intrinsic Distortion Path, IDP, exactly from the high symmetry nuclear configuration to the low symmetry energy minimum. It is possible to quantify the contribution of different normal modes to the distortion, their energy contribution to the total stabilization energy and how their contribution changes along the IDP. It is noteworthy that the results obtained by both multideterminental-DFT and IDP methods for different classes of JT active molecules are consistent and in agreement with available theoretical and experimental values. As an example, detailed description of the ground state distortion of benzene cation is given. M. Zlatar ( )
Li-ion batteries are used in many applications in everyday life: cell phones, laser pointers, laptops, cordless drillers or saws, bikes and even cars. Yet, there is room for improvement in order to make the batteries smaller and last longer. The Fromm group contributes to this research focusing mainly on nanoscale lithium ion cathode materials. This contribution gives an overview over our current activities in the field of batteries. After an introduction on the nano-materials of LiCoO(2) and LiMnPO(4), the studies of our cathode composition and preparation will be presented.
Results of an early-stage sustainability evaluation of two development strategies for new nanoscale cathode materials for Li-ion batteries are reported: (i) a new production pathway for an existing material (LiCoO ) and (ii) a new nanomaterial (LiMnPO ). Nano-LiCoO was synthesized by a single-source precursor route at a low temperature with a short reaction time, which results in a smaller grain size and, thereby, a better diffusivity for Li ions. Nano-LiMnPO was synthesized by a wet chemical method. The sustainability potential of these materials was then investigated (at the laboratory and pilot production scales). The results show that the environmental impact of nano-LiMnPO is lower than that of the other examined nanomaterial by several factors regardless of the indicator used for comparison. In contrast to commercial cathode materials, this new material shows, particularly on an energy and capacity basis, results of the same order of magnitude as those of lithium manganese oxide (LiMn O ) and only slightly higher values than those for lithium iron phosphate (LiFePO ); values that are clearly lower than those for high-temperature LiCoO .
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.