Sökning: "ion pairs"

Visar resultat 1 - 5 av 59 avhandlingar innehållade orden ion pairs.

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

    Författare :Harish Gudla; Daniel Brandell; Chao Zhang; Andreas Heuer; Uppsala universitet; []
    Nyckelord :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;

    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

  3. 2. Aromatic Polymers Functionalized with Anionic and Cationic Groups for Ion Exchange Membranes

    Författare :Annika Weiber; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Ion exchange membranes; fuel cells; polycondensation; local ion density; poly arylene ether sulfone s;

    Sammanfattning : Fuel cells, redox flow batteries and some water desalination technologies such as reverse osmosis and electrodialysis require efficient ion exchange membranes to perform in an optimum way. Thus, by enhancing the properties of these membranes there is a possibility to improve this type of applications and technologies. LÄS MER

  4. 3. Solvent–Solute Interaction : Studied by Synchrotron Radiation Based Photo and Auger Electron Spectroscopies

    Författare :Wandared Pokapanich; Olle Björneholm; Gunnar Öhrwall; Maxim Tchaplyguine; Arnaldo Naves de Brito; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Interatomic Coulombic Decay; ICD; Auger electron spectroscopy; AES; X-ray photoelectron spectroscopy; XPS; Ultra-violet spectroscopy; UPS; localized; delocalized; double ionization potential; DIP; two hole; final states; Water; H2O; Potassium chloride; KCl; Calcium chloride; CaCl2; Ammonium; NH4; Core hole; clock; lifetime; solvated; ion; alkali; halide; Coster Kronig; MAX-lab; BESSY; Liquid physics; Vätskefysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Aqueous solutions were studied using photoelectron and Auger spectroscopy, based on synchrotron radiation and a liquid micro-jet setup. By varying the photon energy in photoelectron spectra, we depth profiled an aqueous tetrabutylammonium iodide (TBAI) solution. LÄS MER

  5. 4. Anions and Additives for Lithium Battery Electrolytes

    Författare :Johan Scheers; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; lithium batteries; additives; Raman spectroscopy; anions; ab initio; electrolytes; ion pairs;

    Sammanfattning : Based on the atomic postulate, which is now more than 2400 years old, scientists have developed very advanced tools for studying the material world. With the potential realized with modern computers, more and more sophisticated methods are available for predicting real material properties, even from simple theoretical model systems. LÄS MER

  7. 5. Femtosecond Dynamics and Photochemistry in Solution

    Författare :Marcus Rasmusson; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Kemi; Chemistry; cross-correlation function; chloroiodomethane; dihalides; bromobenzene; ion pairs; solvation; vibrational relaxation; charge-transfer; tetranitromethane; electron transfer; femtosecond spectroscopy; dissociation; Photochemistry; Fotokemi; Chemical technology and engineering; Kemiteknik och kemisk teknologi;

    Sammanfattning : The reaction dynamics of several polyatomic systems have been investigated in solution by femtosecond spectroscopy. Tetranitromethane-naphtalene complexes excited in the charge-transfer band at 400 nm undergo dissociative electron transfer, resulting in three primary products: [naphthalene].+, NO2 and C(NO2)3-. LÄS MER