Sökning: "H2 adsorption"

Visar resultat 16 - 20 av 54 avhandlingar innehållade orden H2 adsorption.

1. 16. Atomistic Modelling of Low Dimensional Materials for Energy Harvesting and Gas Sensing Applications

   Författare :S. Rabab Naqvi; Rajeev Ahuja; Abir De Sarkar; Uppsala universitet; []
   Nyckelord :Density functional theory; Low dimensional materials; Energy harvesting; Hydrogen storage; Gas Sensing; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : Energy crisis and pollution are the two biggest issues of the present times which are extremely important to address on priority. Scientists/Researchers are trying to explore and create alternate means of energy production which are sustainable and free from greenhouse emissions. LÄS MER

3. 17. Interaction of some molecules with complex surfaces

   Författare :Andrea Resta; Synkrotronljusfysik; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Catalysis; Ethylene; CO.; Surface Science; Vicinal surface; Ethanol; Rh;

   Sammanfattning : This thesis investigates the adsorption, decomposition and reactions of small molecules on flat, oxidised and vicinal surfaces of late transition metals. The main technique for these studies is high resolution core level spectroscopy (HRCLS). All the studies presented in the thesis are performed in Ultra High Vacuum (UHV). LÄS MER

4. 18. Computational Insights on Functional Materials for Clean Energy Storage : Modeling, Structure and Thermodynamics

   Författare :Tanveer Hussain; Rajeev Ahuja; Caetano R. Miranda; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Hydrogen storage; Chemisorption; Physisorption; Functionalization; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : The exponential increase in the demands of world’s energy and the devastating effects of current fossil fuels based sources has forced us to reduce our dependence on the current sources as well as finding cleaner, cheaper and renewable alternates. Being abundant, efficient and renewable, hydrogen can be opted as the best possible replacement of the diminishing and harmful fossil fuels. LÄS MER

5. 19. Computational Studies of Hydrogen Storage Materials : Physisorbed and Chemisorbed  Systems

   Författare :Pornjuk Srepusharawoot; Rajeev Ahuja; Puru Jena; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Ab initio molecular dynamics; Ab initio random structure searching; Hydrogen storage materials; Alkaline earth dicarbide; Condensed matter physics; Kondenserade materiens fysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : This thesis deals with first-principles calculations based on density functional theory to investigate hydrogen storage related properties in various high-surface area materials and the ground state crystal structures in alkaline earth dicarbide systems. High-surface area materials have been shown to be very promising for hydrogen storage applications owing to them containing numerous hydrogen adsorption sites and good kinetics for adsorption/desorption. LÄS MER

7. 20. Fischer-Tropsch synthesis from bio-syngas models over cobalt and cobalt-iron alumina supported catalysts

   Författare :Dewi Tristantini; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Fe:Co-ratio; Cobalt; Bio-syngas; Fe-Co bimetallic; Fischer-Tropsch Synthesis;

   Sammanfattning : Fischer-Tropsch (FT) synthesis is a process in which synthesis gas (syngas), a mixture of H2 and CO, is converted into long chain hydrocarbons mainly over Co- or Fe-based catalysts. The FT synthesis requires an H2/CO molar ratio (usage ratio) of approximately 2.1 above the catalyst surface. If the inlet syngas H2/CO ratio is less than 2. LÄS MER