Sökning: "Reaction Center"

Visar resultat 21 - 25 av 106 avhandlingar innehållade orden Reaction Center.

1. 21. Modelling and Simulation of Electro-catalysts for Green Energy : From Solvated Complexes to Solid-Liquid Interfaces

   Författare :Jose Luis Lima de Jesus Silva; Moyses Araujo; Mårten Ahlquist; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Catalysis; Hydrogen Evolution Reaction; Hybrid Structures; Ruthenium Complexes; XPS; OER; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : In this thesis, I have worked with solid-liquid interfaces, adsorbed molecules on the surface, and solvated complexes using Density Functional Theory (DFT) calculations to find possible signatures that could help design suitable energy materials. More specifically, I have explored hybrid electrocatalysts for hydrogen evolution reaction (HER), XPS fingerprints of gas-phase melamine (monomer, dimer, trimer, and hexagonal packed arrangement), hexagonally packed melamine adsorbed on the Au(111) surface, and high-valence Ruthenium complexes along a reaction pathway in aqueous solution through a joint theory-experiment approach. LÄS MER

3. 22. A numerical study of mixing phenomena and reaction front propagation in partially premixed combustion engines

   Författare :Christian Ibron; Strömningsteknik; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; CFD simulation; förbränning; antändning;

   Sammanfattning : This work treats the modelling of PPC engine combustion through 3D computational fluid dynamics. In order to develop a cost-effective CFD model for the design and performance analysis of PPC engines it is important to first understand the multiple modes of combustion in PPC engines, e.g. LÄS MER

4. 23. Investigation of [N-X-N]+ and [N-C-N]+ complexes in solution : Exploring Geometry, Stability and Symmetry

   Författare :Alavi Karim; Göteborgs universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; three center four electron; halonium; carbenium; carbonium; pentavalent; symmetry; NMR; variable temperature; counterion; isotopic perturbation of equilibrium;

   Sammanfattning : Halogen bonding is a weak interaction. In this thesis the three center four electron halogen bond, [N−X−N]+, has been studied. The lighter halogens form highly unstable halonium ions that are reactive towards nucleophiles and their complexes were therefore investigated at low temperatures. LÄS MER

5. 24. Measurements of 2π0 and 3π0 Production in Proton-Proton Collisions at a Center of Mass Energy of 2.465 GeV

   Författare :Inken Koch; Sven Kullander; Alfons Khoukaz; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Radiation sciences; two pion; three pion; production; WASA; Celsius; cross section; calorimeter; CsI crystals; kinematical distribution; Strålningsvetenskap; Radiation biology; Strålningsbiologi;

   Sammanfattning : Neutral two- and three-pion productions in proton-proton collisions at a center of mass energy of 2.465 GeV have been studied using the WASA detector and an internal pellet target at the CELSIUS storage ring in Uppsala. LÄS MER

7. 25. Tunning Multicolor Light Emission in Lead-free Materials

   Författare :Weidong Cai; Feng Gao; Jiajun Qin; Letian Dou; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Multicolor light emission; Chiral material; Color change under humidity; Lead-free organic and inorganic material; Incorporation of extra emission center; Leadfree double perovskite; Co-doping; Flerfärgad ljusemission; Kiralt material; Färgförändring under fukt; Blyfritt organiskt och oorganiskt material; Inkorporering av extra emissionscenter; Blyfri dubbel perovskit; Samdopning;

   Sammanfattning : Perovskites are a class of compounds with the general formula ABX3 and becoming increasingly attractive recently. Because this kind of material possesses various advantages such as abundant raw materials, easy synthesis, excellent photoelectric properties, and short production process. LÄS MER