Search for dissertations about: "strukturkemi"

Showing result 16 - 20 of 150 swedish dissertations containing the word strukturkemi.

  2. 16. Modelling the Molecular World of Electrolytes and Interfaces : Delving into Li-Metal Batteries

    Author : Mahsa Ebadi; Daniel Brandell; Tejs Vegge; Uppsala universitet; []
    Keywords : Li-metal battery; solid polymer electrolyte; density functional theory; molecular dynamics simulation; solid electrolyte interphase;

    Abstract : 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. READ MORE

  4. 17. Structural Changes in Lithium Battery Materials Induced by Aging or Usage

    Author : Rickard Eriksson; Kristina Edström; Torbjörn Gustafsson; Leif Nyholm; Marca Doeff; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Li-ion batteries; XRD; EXAFS; HAXPES; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

    Abstract : 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). READ MORE

  5. 18. Cation Conduction and Coordination in Carbonyl-Containing Compounds : Li+ Transport in Alternative Polymer Electrolyte Host Materials

    Author : Therese Eriksson; Daniel Brandell; Jonas Mindemark; Claudio Gerbaldi; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Solid polymer electrolytes; Lithium ion batteries; Ion transport; Polyester; Polycarbonate; Polyketone; Ion coordination; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Abstract : 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. READ MORE

  6. 19. Elucidating Chemical and Electrochemical Side-Reaction Mechanisms in Li-ion Batteries

    Author : Neeha Gogoi; Erik Berg; M. Rosa Palacín; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Lithium-ion battery; solid electrolyte interphase; electrolyte additives; reaction mechanism; ethylene carbonate; vinylene carbonate; tris trimethylsilyl phosphate; surface enhanced Raman spectroscopy; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Abstract : 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). READ MORE

  7. 20. Using Molecular Dynamics Simulations to Explore Critical Property Relationships in Polymer Electrolytes : Polarity, Coordination, Ionic transport, Ion-pairing, and Ion-ion Correlations

    Author : Harish Gudla; Daniel Brandell; Chao Zhang; Andreas Heuer; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Solid polymer electrolytes; molecular dynamics simulations; solvent polarity; ion-pairing; ion coordination; ion transport mechanisms; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Abstract : 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. READ MORE