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Full-Text Articles in Physical Sciences and Mathematics
Quantum Capacitance Investigation Of Different Tas2 Polymorphs For Energy Storage Applications – First Principles Study, Mahmoud Elattar
Quantum Capacitance Investigation Of Different Tas2 Polymorphs For Energy Storage Applications – First Principles Study, Mahmoud Elattar
Theses and Dissertations
Energy is an essential requirement, which has a growing demand due to the growth of population and the world transformation into electronic. More than 70% of energy resources are fossil-fuel based which has an environmental impact due to the CO2 emissions. Energy hubs for Fossil-fuel to electric energy conversion, controlled CO2 emissions processing units, and energy storage system are key factors for a smooth transition to green energy without lack of energy supplies, where electrical energy storage systems (ESS) are key enablers to achieve that. One of the effective components which determines the ESS efficiency is the electrode …
Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
Theses and Dissertations
We have investigated the Optical absorption, Infrared spectra, Binding Energies, and various other cluster properties to determine the existence of periodic trend for Transition Metal Chalcogenide Clusters ligated with CO ligands. We were motivated to answer the question of whether periodic behavior can be observed in properties of octahedral metal-chalcogenide clusters. We have used the Amsterdam Density Functional code to calculate the electronic structure of Transition Metal Chalcogenide Clusters using gradient-corrected density functional theory. We determined the existence of several periodic trends in properties of octahedral Transition Metal Chalcogenide Clusters TM6Se8(CO)6. To investigate these …