Physics Commons^™

Synergistic Interactions Of H2 And N2 With Molten Gallium In The Presence Of Plasma, Maria L. Carreon, Daniel F. Jaramillo-Cabanzo, Indira Chaudhuri, Madhu Menon, Mahendra K. Sunkara

Physics and Astronomy Faculty Publications

The present study examines the interaction of hydrogen and nitrogen plasmas with gallium in an effort to gain insights into the mechanisms behind the synergetic effect of plasma and a catalytic metal. Absorption/desorption experiments were performed, accompanied by theoretical-computational calculations. Experiments were carried out in a plasma-enhanced, Ga-packed, batch reactor and entailed monitoring the change in pressure at different temperatures. The results indicated a rapid adsorption/dissolution of the gas into the molten metal when gallium was exposed to plasma, even at a low temperature of 100 °C. The experimental observations, when hydrogen was used, indicate that gallium acts as a …

Investigating The Properties Of Superfluid He-4 Through Density Functional Calculations, Matthew Francis Dutra

Doctoral Dissertations

We present a study of isotopically pure He-4 systems evaluated using helium density functional theory (He-DFT) with the intent of better understanding their ground state structural and energetic properties, particularly within the scope of singularly-doped helium droplets. We self-consistently solve for the density profiles and chemical potentials for a wide range of pure helium droplet sizes (up to 9500 atoms) via an imaginary time propagation method, and fit the resultant energetic data to a power law formula to be able to extrapolate values for even larger droplets. Subsequent calculations on singularly-doped droplets within the same size range yield accurate binding …

The Effect Of Pressure And Interstitial Substitution On The Electronic Properties Of Molybdenum Disulfide Mos2, Wadha Khalifa Salem Rashed Alfalasi

Physics Theses

Molybdenum disulfide has some of graphene’s properties but has an edge over graphene as this new 2D nanomaterial has a band gap in its electronic structure, which is absent in graphene. The purpose of this thesis is to study the electronic properties of the promising Molybdenum Disulfide (MoS2) material in its bulk and monolayer forms by undertaking a systematic theoretical approach. We will mainly study the band gap, the density of states and the electronic charge distribution, which is considered as the most important electronic characteristics of semiconductors.

In this study, the density functional theory (DFT) – implemented in WIEN2k …