Sökning: "Adsorption energy"
Visar resultat 1 - 5 av 267 avhandlingar innehållade orden Adsorption energy.
1. Bio-SNG from Thermal Gasification - Process Synthesis, Integration and Performance
Sammanfattning : Biomethane or synthetic natural gas (Bio-SNG) produced from gasified renewable woody biomass is a promising option for replacing fossil natural gas. The complete interchangeability with natural gas in all its conventional applications such as in the power generation, transportation and chemical industry sector is of particular interest. LÄS MER
2. Molecular overlayers on homogeneous and heterogeneous metal surfaces studied by core-level photoemission
Sammanfattning : The main topic of this thesis is the investigation of small molecules adsorbed on metal surfaces by means of core-level photoemission spectroscopy. The thesis consists of three parts; The first group of papers concerns the effects of internal molecular vibrations on the core-level photoemission spectra. LÄS MER
3. Development and improvement of methods for characterization of HPLC stationary phases
Sammanfattning : High Performance Liquid Chromatography (HPLC) is a widely used tech-nique both for detecting and purifying substances in academy and in the industry. In order to facilitate the use of, and knowledge in HPLC, character-ization of stationary phases is of utmost importance. LÄS MER
4. Insights into Materials Properties from Ab Initio Theory : Diffusion, Adsorption, Catalysis & Structure
Sammanfattning : In this thesis, density functional theory (DFT) calculations and DFT based ab initio molecular dynamics simulations have been employed in order to gain insights into materials properties like diffusion, adsorption, catalysis, and structure. In transition metals, absorbed hydrogen atoms self-trap due to localization of metal d-electrons. LÄS MER
5. First Principles Modelling of Clean Energy Materials
Sammanfattning : This licentiate thesis presents the density functional theory study on clean energy materials relevant for catalysis applications, and for solid oxide fuel cells.In the first part of the thesis the metal supported ultrathin films, namely ScN/Mo, MgO/Mo and NaF/Mo are considered, and the Cu atom adsorption and charging on them is explored. LÄS MER