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Articles 1 - 6 of 6
Full-Text Articles in Physical Sciences and Mathematics
Charge, Bonding, And Magneto-Elastic Coupling In Nanomaterials, Qi Sun
Charge, Bonding, And Magneto-Elastic Coupling In Nanomaterials, Qi Sun
Doctoral Dissertations
Phonons are exquisitely sensitive to finite length scale effects in a wide variety of materials because they are intimately connected to charge, structure, and magnetism, and a quantitative analysis of their behavior can reveal microscopic aspects of chemical bonding and spin-phonon coupling. To investigate these effects, we measured infrared vibrational properties of bulk and nanoscale MoS2 [molybdenum disulfide], MnO [manganese(II) oxide], and CoFe2O4 [cobalt iron oxide]. From an analysis of frequencies, oscillator strengths, and high-frequency dielectric constants, we extracted Born and local effective charges, and polarizability for MoS2 and MnO. For MoS2 nanoparticles, in …
Charge-Lattice-Spin Interactions In Molecule-Based Magnets, Tatiana Vladimir Brinzari
Charge-Lattice-Spin Interactions In Molecule-Based Magnets, Tatiana Vladimir Brinzari
Doctoral Dissertations
Many of the most attractive properties of multifunctional materials can be traced to the competition between charge, structure, and magnetism. The discovery that these interactions can be tuned with various physical stimuli has accelerated interest in their behavior under extreme conditions. In this dissertation I present a spectroscopic investigation of several model molecule-based magnets under external stimuli of magnetic field and temperature. The compounds of interest include MII[N(CN)2]2 (M=Mn, Co) and [Ru2(O2CMe)4]3[Cr(CN)6]. These materials are attractive for their subtle interplay between electronic, magnetic and structural …
Confinement Effects Of Solvation On A Molecule Physisorbed On A Metal Particle, Jacob Fosso Tande
Confinement Effects Of Solvation On A Molecule Physisorbed On A Metal Particle, Jacob Fosso Tande
Doctoral Dissertations
We describe and present results of the implementation of the surface and volume polarization for electrostatics~(SVPE) and the iso-density surface solvation models. Unlike most other implementation of the solvation models where the solute and the solvent are described with multiple numerical representation, our implementation uses a multiresolution, adaptive multiwavelet basis to describe both solute and the solvent. This requires reformulation to use integral equations throughout as well as a conscious management of numerical properties of the basis.
Likewise, we investigate the effects of solvation on the static properties of a molecule physisorbed on a spherical particle, modeled as a polarizable …
Physical Adsorption Of Gases Onto Mesoporous Silica Material Sba-15, Sean C. Forrest
Physical Adsorption Of Gases Onto Mesoporous Silica Material Sba-15, Sean C. Forrest
Chancellor’s Honors Program Projects
No abstract provided.
Computational Studies Of The N2-H2 Interaction-Induced Dipole Moment, Hailey R. Bureau
Computational Studies Of The N2-H2 Interaction-Induced Dipole Moment, Hailey R. Bureau
Chancellor’s Honors Program Projects
No abstract provided.
Dynamics Of He Adsorbates On Mgo(100) Surfaces, Britta Johnson Ms
Dynamics Of He Adsorbates On Mgo(100) Surfaces, Britta Johnson Ms
Chancellor’s Honors Program Projects
No abstract provided.