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Full-Text Articles in Physics

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 Dec 2017

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 ...


Investigating The Properties Of Superfluid He-4 Through Density Functional Calculations, Matthew Francis Dutra May 2017

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 Apr 2017

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 ...


Oscillatory Electrostatic Potential On Graphene Induced By Group Iv Element Decoration, Chunyan Du, Liwei Yu, Xiaojie Liu, Lili Liu, Cai-Zhuang Wang Jan 2017

Oscillatory Electrostatic Potential On Graphene Induced By Group Iv Element Decoration, Chunyan Du, Liwei Yu, Xiaojie Liu, Lili Liu, Cai-Zhuang Wang

Ames Laboratory Accepted Manuscripts

The structures and electronic properties of partial C, Si and Ge decorated graphene were investigated by first-principles calculations. The calculations show that the interaction between graphene and the decoration patches is weak and the semiconductor patches act as agents for weak electron doping without much disturbing graphene electronic π-bands. Redistribution of electrons due to the partial decoration causes the electrostatic potential lower in the decorated graphene areas, thus induced an electric field across the boundary between the decorated and non-decorated domains. Such an alternating electric field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport.


Growth And Characterization Of Baznga, Na Hyun Jo, Qisheng Lin, Udhara S. Kaluarachchi, William R. Meier, Soham Manni, Savannah S. Downing, Anna E. Böhmer, Tai Kong, Yang Sun, Valentin Taufour, Cai-Zhuang Wang, Kai-Ming Ho, Sergey L. Bud’Ko, Paul C. Canfield Jan 2017

Growth And Characterization Of Baznga, Na Hyun Jo, Qisheng Lin, Udhara S. Kaluarachchi, William R. Meier, Soham Manni, Savannah S. Downing, Anna E. Böhmer, Tai Kong, Yang Sun, Valentin Taufour, Cai-Zhuang Wang, Kai-Ming Ho, Sergey L. Bud’Ko, Paul C. Canfield

Ames Laboratory Accepted Manuscripts

We report the growth, structure and characterization of BaZnGa, identifying it as the sole known ternary compound in the Ba–Zn–Ga system. Single crystals of BaZnGa can be grown out of excess Ba–Zn and adopt a tI36 structure type. There are three unique Ba sites and three M = Zn/Ga sites. Using DFT calculations we can argue that whereas one of these three M sites is probably solely occupied by Ga, the other two M sites, most likely, have mixed Zn/Ga occupancy. Temperature-dependent resistivity and magnetization measurements suggest that BaZnGa is a poor metal with no electronic ...