Search for dissertations about: "Metal bases"

Showing result 1 - 5 of 17 swedish dissertations containing the words Metal bases.

2. 1. Biomimetic Transition Metal Catalysts : Insights from Theoretical Modeling

   Author : Adam Johannes Johansson; Per E. M. Siegbahn; Margareta R. A. Blomberg; Per-Ola Norrby; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Catalysis; biomimetic; copper; non-heme iron; heme iron; O2 cleavage; H-atom transfer; radical chemistry; redox chemistry; thermo chemistry; entropy calculations; quantum chemistry; spin states; density functional theory DFT ; self-interaction error SIE .; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

   Abstract : The scientific interest in the chemistry of synthetic transition metal complexes is motivated by at least two arguments:1.These can be regarded as models of biological transition metal complexes, e.g. metalloenzymes, whose functions can be difficult to reveal in detail due to their complexity. READ MORE

4. 2. Transition metal-catalysed isomerisation of allylic alcohols : Applications to C−C, C−F and C−Cl bond formation

   Author : Nanna Ahlsten; Belén Martín-Matute; M. J. Jonathan Williams; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; transiton metal-catalysis; allylic alcohols; isomerisation; halogenation; organisk kemi; Organic Chemistry;

   Abstract : The focus of this thesis has been to develop selective and atom-economical methods for carbon-carbon and carbon-heteroatom bond formation, and to some extent improve on existing findings in this area. More specifically, methods for the catalytic generation of enolates from allylic alcohols and their in situ functionalisation with electrophilic reagents are described. READ MORE

5. 3. Electrochromism in Metal Oxide Thin Films : Towards long-term durability and materials rejuvenation

   Author : Rui-Tao Wen; Claes-Göran Granqvist; Agustín R. González-Elipe; Uppsala universitet; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; electrochromic; smart windows; long-term durability; degradation kinetics; ion trapping; de-trapping; materials rejuvenation; Engineering Science with specialization in Solid State Physics; Teknisk fysik med inriktning mot fasta tillståndets fysik;

   Abstract : Electrochromic thin films can effectively regulate the visible and infrared light passing through a window, demonstrating great potential to save energy and offer a comfortable indoor environment in buildings. However, long-term durability is a big issue and the physics behind this is far from clear. READ MORE

6. 4. Thin metal films on weakly-interacting substrates : Nanoscale growth dynamics, stress generation, and morphology manipulation

   Author : Andreas Jamnig; Kostas Sarakinos; Gregory Abadias; Gregory Thompson; Linköpings universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Thin films; magnetron sputter-deposition; in situ and real-time characterization; early film growth stages; residual stress; manipulation of morphology; Couches minces; pulvérisation magnétron; caractérisation in situ en temps réel; premiers stades de croissance; contraintes résiduelles; manipulation de morphologie;

   Abstract : Vapor-based growth of thin metal films with controlled morphology on weakly-interacting substrates (WIS), including oxides and van der Waals materials, is essential for the fabrication of multifunctional metal contacts in a wide array of optoelectronic devices. Achieving this entails a great challenge, since weak film/substrate interactions yield a pronounced and uncontrolled 3D morphology. READ MORE

7. 5. Mechanical Properties of Transition Metal Alloys from First-PrinciplesTheory

   Author : Li Xiaoqing; Levente Vitos; Mojmír Šob; KTH; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES;

   Abstract : The aim of the thesis is to investigate the alloying and temperature effects on the mechanical properties of body-centered cubic (bcc) random alloys. We employ the all-electron exact muffin-tin orbitals method in combination with the coherent-potential approximation. READ MORE