Sökning: "Single atom catalyst"

Hittade 2 uppsatser innehållade orden Single atom catalyst.

1. 1. Optimizing a Single Atom Catalyst for theOxygen Evolution Reaction using DensityFunctional Theory

   Uppsats för yrkesexamina på avancerad nivå, KTH/Skolan för kemi, bioteknologi och hälsa (CBH)

   Författare :Vivien Hjelm; [2019]
   Nyckelord :Single atom catalyst; oxygen evolution reaction; density functional theory; heterogeneous catalyst; transition metals;

   Sammanfattning : The growing interest of renewable fuel and energy sources has steadily increased over time due to climate changes. Research is being made around the world to find solutions for the different problems; one possible solution is to produce hydrogen gas to help phase out the usage of fossil fuels. LÄS MER

3. 2. Valence Band Properties of the Ruthenium Complex Catalyst Using Ab Initio Theory

   L3-uppsats, Uppsala universitet/Materialteori

   Författare :Pamela H.W. Svensson; [2018]
   Nyckelord :Valence; Band; Properties; of; the; Ruthenium; Complex; Catalyst; Using; Ab; Initio; Theory; DFT; DOS; pDOS;

   Sammanfattning : Ruthenium complexes has been geometrically optimized with different combinations of basis sets. Using single point calculation, the Density of States and partial Density of States has been calculated. RuIII-OH2 experienced a shift towards higher binding energies. LÄS MER