31 research outputs found
An Artificial SEI Layer Based on an Inorganic Coordination Polymer with Self-Healing Ability for Long-Lived Rechargeable Lithium-Metal Batteries
Upon immersion of a lithium (Li) anode into a diluted 0.05 to 0.20â
M dimethoxyethane solution of the phosphoric-acid derivative (CFCHO)P(O)OH (HBFEP), an artificial solid-electrolyte interphase (SEI) is generated on the Li-metal surface. Hence, HBFEP reacts on the surface to the corresponding Li salt (LiBFEP), which is a Li-ion conducting inorganic coordination polymer. This film exhibits â due to the reversibly breaking ionic bonds â self-healing ability upon cycling-induced volume expansion of Li. The presence of LiBFEP as the major component in the artificial SEI is proven by ATR-IR and XPS measurements. SEM characterization of HBFEP-treated Li samples reveals porous layers on top of the Li surface with at least 3â
ÎŒm thickness. LiâLi symmetrical cells with HBFEP-modified Li electrodes show a three- to almost fourfold cycle-lifetime increase at 0.1â
mAâcm in a demanding model electrolyte that facilitates fast battery failure (1â
M LiOTf in TEGDME). Hence, the LiBFEP-enriched layer apparently acts as a Li-ion conducting protection barrier between Li and the electrolyte, enhancing the rechargeability of Li electrodes
Estimation of Lattice Enthalpies of Ionic Liquids Supported by Hirshfeld Analysis
© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. New measurements of vaporization enthalpies for 15 1:1 ionic liquids are performed by using a quartz-crystal microbalance. Collection and analysis of 33 available crystal structures of organic salts, which comprise 13 different cations and 12 anions, is performed. Their dissociation lattice enthalpies are calculated by a combination of experimental and quantum chemical quantities and are divided into the relaxation and Coulomb components to give an insight into elusive short-range interaction enthalpies. An empirical equation is developed, based on interaction-specific Hirshfeld surfaces and solvation enthalpies, which enables the estimation of the lattice enthalpy by using only the crystal-structure data. A compound view: A combination of newly collected experimental and computational data delivers the lattice enthalpies of ionic compounds. By using Hirshfeld surfaces and COSMO solvation enthalpies (see figure), a simple equation for the estimation of lattice enthalpies that requires only lattice data can be established. This paves the way to understand short-range interactions in the solid state
Semi-Automatic Anatomical Tree Matching for Landmark-Based Elastic Registration of Liver Volumes
Detection of selected pathogens in ticks collected from cats and dogs in the WrocĆaw Agglomeration, South-West Poland
Revised estimates of photochemically deposited contamination of the Global Positioning System satellites
Estimation of Lattice Enthalpies of Ionic Liquids Supported by Hirshfeld Analysis
© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. New measurements of vaporization enthalpies for 15 1:1 ionic liquids are performed by using a quartz-crystal microbalance. Collection and analysis of 33 available crystal structures of organic salts, which comprise 13 different cations and 12 anions, is performed. Their dissociation lattice enthalpies are calculated by a combination of experimental and quantum chemical quantities and are divided into the relaxation and Coulomb components to give an insight into elusive short-range interaction enthalpies. An empirical equation is developed, based on interaction-specific Hirshfeld surfaces and solvation enthalpies, which enables the estimation of the lattice enthalpy by using only the crystal-structure data. A compound view: A combination of newly collected experimental and computational data delivers the lattice enthalpies of ionic compounds. By using Hirshfeld surfaces and COSMO solvation enthalpies (see figure), a simple equation for the estimation of lattice enthalpies that requires only lattice data can be established. This paves the way to understand short-range interactions in the solid state
Estimation of Lattice Enthalpies of Ionic Liquids Supported by Hirshfeld Analysis
© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. New measurements of vaporization enthalpies for 15 1:1 ionic liquids are performed by using a quartz-crystal microbalance. Collection and analysis of 33 available crystal structures of organic salts, which comprise 13 different cations and 12 anions, is performed. Their dissociation lattice enthalpies are calculated by a combination of experimental and quantum chemical quantities and are divided into the relaxation and Coulomb components to give an insight into elusive short-range interaction enthalpies. An empirical equation is developed, based on interaction-specific Hirshfeld surfaces and solvation enthalpies, which enables the estimation of the lattice enthalpy by using only the crystal-structure data. A compound view: A combination of newly collected experimental and computational data delivers the lattice enthalpies of ionic compounds. By using Hirshfeld surfaces and COSMO solvation enthalpies (see figure), a simple equation for the estimation of lattice enthalpies that requires only lattice data can be established. This paves the way to understand short-range interactions in the solid state