Sökning: "HOMO LUMO"

Visar resultat 1 - 5 av 13 avhandlingar innehållade orden HOMO LUMO.

  1. 1. Design, Synthesis and Properties of Organic Sensitizers for Dye Sensitized Solar Cells

    Detta är en avhandling från Stockholm : KTH Royal Institute of Technology

    Författare :Karl Martin Karlsson; KTH.; [2011]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Acceptor; chromophore; donor; dye; sensitized; energy level; HOMO LUMO; linker; phenoxazine; sensitizer; solar cell; triphenylamine; NATURAL SCIENCES Chemistry; NATURVETENSKAP Kemi; NATURAL SCIENCES Chemistry Organic chemistry Organic synthesis; NATURVETENSKAP Kemi Organisk kemi Organisk syntes;

    Sammanfattning : This thesis gives a detailed description of the design and synthesis of new organic sensitizers for Dye sensitized Solar Cells (DSCs). It is divided in 7 chapters, where the first gives an introduction to the field of DSCs and the synthesis of organic sensitizers. LÄS MER

  2. 2. Synthesis of Organic Chromophores for Dye Sensitized Solar Cells

    Detta är en avhandling från Stockholm : KTH

    Författare :Daniel Hagberg; KTH.; [2009]
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Acceptor; chromophore; donor; dye sensitized solar cells; HOMO and LUMO energy level tuning; linker; organic dye.; TECHNOLOGY Chemical engineering; TEKNIKVETENSKAP Kemiteknik;

    Sammanfattning :   This thesis deals with development and synthesis of organic chromophores for dye sensitized solar cells. The chromophores are divided into three components; donor, linker and acceptor. The development of efficient organic chromophores for dye sensitized solar cells starts off with one new organic chromophore, D5. LÄS MER

  3. 3. Synthesis of Organic Chromophores for Dye Sensitized Solar Cells

    Detta är en avhandling från Stockholm : KTH

    Författare :Daniel Hagberg; KTH.; [2007]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Organic Chromophores; Dye Sensitized Solar Cells; NATURAL SCIENCES Chemistry Organic chemistry; NATURVETENSKAP Kemi Organisk kemi;

    Sammanfattning : This thesis is divided into four parts with organic chromophores for dye sensitized solar cells as the common feature and an introduction with general concepts of the dye sensitized solar cells. The first part of the thesis describes the development of an efficient organic chromophore for dye sensitized solar cells. LÄS MER

  4. 4. Phosphorus Centers in π-conjugated Systems

    Detta är en avhandling från Uppsala : Acta Universitatis Upsaliensis

    Författare :Elisabet Öberg; Uppsala universitet.; [2012]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; phosphorus; phosphaalkene; phosphole; alkyne; π-conjugation; molecular electronics; Kemi; Chemistry;

    Sammanfattning : Single-molecular electronics and organic material electronics are expanding research fields that ultimately aim for a vast variety of different applications, ranging from organic light-emitting diodes, to novel ways to improve the performance and decrease the size of electronics components. To achieve these goals, research has to be focused both on the development of functional molecules, but also on device fabrication. LÄS MER

  5. 5. Efficient Density Matrix Methods for Large Scale Electronic Structure Calculations

    Detta är en avhandling från Uppsala : Acta Universitatis Upsaliensis

    Författare :Anastasia Kruchinina; Uppsala universitet.; Uppsala universitet.; [2019]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electronic structure; linear scaling; density matrix; density functional theory; Hartree-Fock; recursive polynomial expansion; density matrix purification; eigenvectors; molecular orbitals; stopping criteria; inverse factorization; matrix sparsity; parallelization; Scientific Computing; Beräkningsvetenskap;

    Sammanfattning : Efficient and accurate methods for computing the density matrix are necessary to be able to perform large scale electronic structure calculations. For sufficiently sparse matrices, the computational cost of recursive polynomial expansions to construct the density matrix scales linearly with increasing system size. LÄS MER