Sökning: "Thermodynamics and Batteries."

Visar resultat 1 - 5 av 6 avhandlingar innehållade orden Thermodynamics and Batteries..

  1. 1. Energy Storage Materials: Insights From ab Initio Theory : Diffusion, Structure, Thermodynamics and Design

    Författare :Rafael Barros Neves de Araújo; Rajeev Ahuja; Graeme Henkelman; Uppsala universitet; []
    Nyckelord :Density Functional Theory; Defects Diffusion; Thermodynamics and Batteries.;

    Sammanfattning : The development of science and technology have provided a lifestyle completely dependent on energy consumption. Devices such as computers and mobile phones are good examples of how our daily life depends on electric energy. LÄS MER

  3. 2. Defect Thermodynamics and Kinetics in Polyanionic Cathodes : A Theoretical Roadmap for Na-ion based Batteries and Hybrid Supercapacitors

    Författare :Teeraphat Watcharatharapong; Rajeev Ahuja; Sudip Chakraborty; Jan Isberg; Palani Balaya; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; Energy Materials; Defects; Chemical potentials; Kinetics; Hybrid supercapacitors; Na-ion batteries; Polyanionic cathodes;

    Sammanfattning : In this thesis, the framework of the density functional theory is employed to study and predict properties of polyanionic cathodes for Na-ion batteries and hybrid supercapacitors. It consists of three main parts as follows:The first part is primarily dedicated to kröhnkite-type Na2Fe(SO4)22H2O cathode. LÄS MER

  4. 3. Organic Electrode Battery Materials : A Journey from Quantum Mechanics to Artificial Intelligence

    Författare :Rodrigo P. Carvalho; Moyses Araujo; Daniel Brandell; Susanne Mirbt; Wolfgang Wenzel; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Batteries; Artificial Intelligence; Organic electrodes; High-voltage cathode materials; Machine learning; Materials discovery; High throughput screening; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Batteries have become an irreplaceable technology in human life as society becomes progressively more dependent on electricity. The demand for novel battery technologies has increased fast, especially with the popularisation of different portable devices. LÄS MER

  5. 4. Structural, Electronic and Mechanical Properties of Advanced Functional Materials

    Författare :Muhammad Ramzan; Rajeev Ahuja; S. K. Saxena; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; Hydrogen storage; Rechargeable batteries; Amorphization; Electronic structure; Crystal strcuture; Molecular dynamics; Diffusion; Intercalation voltage; High pressure; MAX phases; Mechanical properties; Optical properties; Phase change memory; Spintronics; Magnetism; Correlation effects; Band structure; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : The search for alternate and renewable energy resources as well as the efficient use of energy and development of such systems that can help to save the energy consumption is needed because of exponential growth in world population, limited conventional fossil fuel resources, and to meet the increasing demand of clean and environment friendly substitutes. Hydrogen being the simplest, most abundant and clean energy carrier has the potential to fulfill some of these requirements provided the development of efficient, safe and durable systems for its production, storage and usage. LÄS MER

  7. 5. Electrochemical Reactions of Quinones at Conducting Polymer Electrodes

    Författare :Canyan Che; Xavier Crispin; Mikhail Vagin; Magnus Jonsson; Viktor Gueskine; Mieczyslaw Lapkowski; Linköpings universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : Proton-coupled multielectron transfer reactions are of great abundance in Nature. In particular, two-proton-two-electron transfers in quinone/hydroquinone redox couples are behind oxidative phosphorylation (ADP-to-ATP) and photosystem II. LÄS MER