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Articles 1 - 5 of 5
Full-Text Articles in Condensed Matter Physics
Nuclear Magnetic Resonance Characterization Of Dynamics In Novel Electrochemical Materials, Christopher T. Mallia
Nuclear Magnetic Resonance Characterization Of Dynamics In Novel Electrochemical Materials, Christopher T. Mallia
Theses and Dissertations
As our daily use of electronics and electronic technology grows, so does the societal need for sustainable, renewable and portable electrical power. To this end, materials of interest in the electrochemical world are needed to advance the frontier of battery science and energy storage technologies so that a safer, more efficient and reliable electrical future can be realized. This work focuses on characterization of materials primarily of interest for use as electrolytes in rechargeable Lithium-Ion Batteries (LIBs). Despite their extraordinary power, LIB application in certain fields, such as in electric vehicles, has been limited due to performance and safety concerns. …
Straintronic Nanomagnetic Devices For Non-Boolean Computing, Md Ahsanul Abeed
Straintronic Nanomagnetic Devices For Non-Boolean Computing, Md Ahsanul Abeed
Theses and Dissertations
Nanomagnetic devices have been projected as an alternative to transistor-based switching devices due to their non-volatility and potentially superior energy-efficiency. The energy efficiency is enhanced by the use of straintronics which involves the application of a voltage to a piezoelectric layer to generate a strain which is ultimately transferred to an elastically coupled magnetostrictive nanomaget, causing magnetization rotation. The low energy dissipation and non-volatility characteristics make straintronic nanomagnets very attractive for both Boolean and non-Boolean computing applications. There was relatively little research on straintronic switching in devices built with real nanomagnets that invariably have defects and imperfections, or their adaptation …
Electronic And Geometric Structure Of Alnom And Alnom +, Albert R. Armstrong
Electronic And Geometric Structure Of Alnom And Alnom +, Albert R. Armstrong
Theses and Dissertations
Generally, the electronic stability of aluminum clusters is associated with either closed electronic shells of delocalized electrons, or aluminum in the +3 state. To explore alternative routes for electronic stability in aluminum oxide clusters, theoretical methods were used to examine the geometric and electronic structure of AlnOm (2≤n≤7; 1≤m≤10) clusters. Two types of electronically stable clusters with large HOMO-LUMO gaps were identified the first being Al2nO3m clusters with a +3 oxidation state on the aluminum, and the second being planar clusters such as Al4O4, Al5O3, Al …
Theoretical Studies Of The Structure And Stability Of Metal Chalcogenide Crntem (1≤N≤6, 1≤M≤8) Clusters, Fnu Sweta Prabha
Theoretical Studies Of The Structure And Stability Of Metal Chalcogenide Crntem (1≤N≤6, 1≤M≤8) Clusters, Fnu Sweta Prabha
Theses and Dissertations
In the presented work, first principle studies on electronic structure, stability, and magnetic properties of metal chalcogenide, CrnTem clusters have been carried out within a density functional framework using generalized gradient functions to incorporate the exchange and correlation effects. The energetic and electronic stability was investigated, and it was found that they are not always correlated as seen in the cluster Cr6Te8 which has smaller gap between its HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) and a high electron affinity of 3.39 eV indicating lower electronic stability whereas higher fragmentation …
The Structure And Stability Of Cationic Metal-Benzene Clusters, Daniel P. Rabayda
The Structure And Stability Of Cationic Metal-Benzene Clusters, Daniel P. Rabayda
Theses and Dissertations
We have investigated the size-dependent stability and structure of benzene, aluminum-benzene, and vanadium-benzene clusters. Motivated by gas-phase experimental studies performed by an experimental collaborator, we have used first-principle electronic structure methods to identify the structure of Al+(Bz)n, V+(Bz)n, and Bzn clusters. Our studies reveal that cationic aluminum-benzene clusters have a magic number of 13, and that its high stability may be understood by analyzing the structure of the cluster. We also investigate the structure of vanadium-benzene clusters which have a magic number of 2. Here I examine the benzene-cation and benzene-benzene …