Sökning: "strukturkemi"
Visar resultat 16 - 20 av 150 avhandlingar innehållade ordet strukturkemi.
16. Modelling the Molecular World of Electrolytes and Interfaces : Delving into Li-Metal Batteries
Sammanfattning : Lithium metal batteries (LMBs) are potential candidates for powering portable electronic devices and for electromobility. However, utilizing the reactive Li metal electrode means tackling serious challenges in terms of safety risks. LÄS MER
17. Structural Changes in Lithium Battery Materials Induced by Aging or Usage
Sammanfattning : Li-ion batteries have a huge potential for use in electrification of the transportation sector. The major challenge to be met is the limited energy storage capacity of the battery pack: both the amount of energy which can be stored within the space available in the vehicle (defining its range), and the aging of the individual battery cells (determining how long a whole pack can deliver sufficient energy and power to drive the vehicle). LÄS MER
18. Cation Conduction and Coordination in Carbonyl-Containing Compounds : Li+ Transport in Alternative Polymer Electrolyte Host Materials
Sammanfattning : The field of solid polymer electrolytes (SPEs) used to create safer lithium-ion batteries has been dominated by polyethylene oxide (PEO) since the discovery of its ion-conducting properties in the 1970s. In this thesis, as an alternative, the ion coordination and conduction properties of SPEs based on polyketones, polyesters and polycarbonates are investigated. LÄS MER
19. Elucidating Chemical and Electrochemical Side-Reaction Mechanisms in Li-ion Batteries
Sammanfattning : Lithium-ion batteries constitute a leading technology that plays a major role in the transition towards sustainable transportation and power generation. The stability of modern batteries relies on a passivation layer formed on the negative electrode known as the solid electrolyte interphase (SEI). LÄS MER
20. Using Molecular Dynamics Simulations to Explore Critical Property Relationships in Polymer Electrolytes : Polarity, Coordination, Ionic transport, Ion-pairing, and Ion-ion Correlations
Sammanfattning : While ion transport in solid polymer electrolytes (SPEs) has been explored for decades, there still remains controversies about its fundamental properties, often correlated with gaps between experimental and computational studies. Using molecular dynamics simulations to understand the complex transport mechanisms and also to fill these gaps is the main goal of this thesis. LÄS MER