Sökning: "electrostatic potential map"

Hittade 5 avhandlingar innehållade orden electrostatic potential map.

  1. 1. A structural study into the boundary surface and associated curvature of three-dimensional mesoporous silica crystals

    Författare :Keiichi Miyasaka; Osamu Terasaki; Reinhard Nesper; Stockholms universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; mesoporous crystal; electron crystallography; electrostatic potential map; equi-potential surface; curvature; multiplly-twinned particle; Chemistry; Kemi; Structural Chemistry; strukturkemi;

    Sammanfattning : Since their first discovery in the early 1990s, mesoporous crystals (MCs) have fascinated researchers in various fields because of their interesting structures and their potential uses. Electron crystallography (EC) gives the direct three-dimensional (3D) realization of a crystal as a reconstructed electrostatic potential map (EPM). LÄS MER

  3. 2. On the accuracy of crystal structural analysis and the potential of unraveling structural details by 3D electron diffraction

    Författare :Meng Ge; Xiaodong Zou; Mauro Gemmi; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; electron crystallography; three-dimensional electron diffraction; metal-organic framework; open-framework germanates; guest molecules; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : Knowing the atomic crystal structures of ordered porous solids is essential in understanding their behaviors and properties, developing new applications, and designing new porous materials. Electrons have a much shorter wavelength and much stronger interaction with atoms in a crystal compared with X-ray. LÄS MER

  4. 3. Alexandria: A General Drude Polarizable Force Field with Spherical Charge Density

    Författare :Mohammad Mehdi Ghahremanpour; David Van der Spoel; Kresten Lindorff-Larsen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular mechanics; Force field; Drude oscillator model; Alexandria library; GROMACS; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : Molecular-mechanical (MM) force fields are mathematical functions that map the geometry of a molecule to its associated energy. MM force fields have been extensively used for an atomistic view into the dynamic and thermodynamics of large molecular systems in their condensed phase. LÄS MER

  5. 4. Growth, Physics, and Device Applications of InAs-based Nanowires

    Författare :Linus Fröberg; Fasta tillståndets fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; field effect transistors; Low-dimensional structures; nanowires; chemical beam epitaxy; heterostructures; III-V; InP; InAs; quantum dots; gate all-around; wrap gate;

    Sammanfattning : This thesis is based on three different projects: 1) the epitaxial growth of nanowires using chemical beam epitaxy, 2) the study of electron transport through quantum dots and multiple quantum dots in nanowires at low temperature, and 3) the development of wrap gated nanowire field effect transistors. In the first part, a method of studying the diffusion of the source material on the substrate surface was developed. LÄS MER

  7. 5. Interfaces in Organic Solar Cells

    Författare :Xian'e Li; Mats Fahlman; Xianjie Liu; Artem Bakulin; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Organic semiconductors (OSs), the promising candidates for the next generation electronic devices, have shown their advantages of light weight, flexibility, semi-transparency, tunable optical gaps, and energy levels, in the development history of over 70 years. OSs have been widely used in versatile applications such as organic light-emitting diodes, organic field-effect transistors, organic photodetectors, and organic solar cells (OSCs) which are mainly studied in this thesis. LÄS MER