Search for dissertations about: "Mårten Ahlquist"

Found 4 swedish dissertations containing the words Mårten Ahlquist.

  1. 1. Theoretical Studies on CO2 Reduction Electrocatalysts

    Author : Xiaoyu Chen; Mårten S. G. Ahlquist; Sandra Luber; KTH; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Computational Chemistry; CO2 reduction; electrocatalysis; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Abstract : The atmospheric CO2 concentration has increased by more than 20% since 1980s and has now reached the highest level than at any point in the past 800 000 years. Electrochemical CO2 reductions are receiving particular in- terest as the apparatus are relatively easy to maintain and cheap to operate. READ MORE

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

    Author : Jose Luis Lima de Jesus Silva; Carlos Moyses Graca Araujo; Mårten Ahlquist; Moyses Araujo; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; 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;

    Abstract : 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. READ MORE

  3. 3. Theoretical Studies on Water Splitting Using Transition Metal Complexes

    Author : Ying Wang; Mårten Ahlquist; Julio Lloret Fillol; KTH; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : .... READ MORE

  4. 4. Theoretical Studies on Water Oxidation Catalysts - from Solvent to Interfaces

    Author : Shaoqi Zhan; Mårten Ahlquist; Núria López; KTH; []
    Keywords : Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Abstract : Water splitting contains two half-reactions, the water oxidation reaction and the hydrogen reduction reaction. In water oxidation, protons and electrons will be generated to offer two elemental components for production of fuels, such as H2 and CH3OH. READ MORE