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Full-Text Articles in Physics
A Study Of The Frustrated Honeycomb Battery Material Na2ni2teo6, Nathan Christopher Episcopo
A Study Of The Frustrated Honeycomb Battery Material Na2ni2teo6, Nathan Christopher Episcopo
Open Access Theses & Dissertations
The P2-type layered hexagonal compound Na2Ni2TeO6 with Ni2+ on a honeycomb lattice was synthesized by the standard solid-state route. Structural characterization chemical phase purity was confirmed by Rietveld refinement of laboratory and synchrotron data. The crystal structure refines well in the P63/mcm space group. Single crystal growth trials using the self-flux-melt method were conducted with limited success. The magnetic transition temperature pertaining to Ni2+ lattice was confirmed by analysis of specific heat capacity to be . The magnetic susceptibility remains largely unchanged in magnetic field of and external pressure of . There is an almost linear response in isothermal magnetization …
A Study Of Solvent Effects On The Ground And Excited States Of Endohedral Tri-Scandium Nitride C80 Fullerene Coupled With Zinc Phthalocyanine And Metal-Free Phthalocyanine Using Dft-Pcm Method, Timilsina Prasad Timlsina
A Study Of Solvent Effects On The Ground And Excited States Of Endohedral Tri-Scandium Nitride C80 Fullerene Coupled With Zinc Phthalocyanine And Metal-Free Phthalocyanine Using Dft-Pcm Method, Timilsina Prasad Timlsina
Open Access Theses & Dissertations
The photovoltaic active materials composed of endohedral metafullerene and phthalocyanine derivatives are known as excellent electron donor-acceptor pairs. The tri-metallic nitride endohedral C80 fullerene exhibits high absorption coefficients in the visible region of the spectrum and has similar electron-accepting abilities as that of C60 fullerene, which can allow for higher efficiencies in OPV devices. In this study, we examine the effect of solvent on the charge transfer excitation energies of Sc3N@C80-ZnPc and Sc3N@C80-H2Pc donor-acceptor molecular complexes. Three different solvents with different polarity - water, toluene, and acetone are used. The solvent is modeled as a polarizable continuum as implemented in …
High Pressure Synchrotron X-Ray Diffraction Studies Of Superprotonic Transitions In Phosphate Based Solid Acids, Juan Daniel Hermosillo
High Pressure Synchrotron X-Ray Diffraction Studies Of Superprotonic Transitions In Phosphate Based Solid Acids, Juan Daniel Hermosillo
Open Access Theses & Dissertations
Certain phosphate based solid acids, such as CsH2PO4 and RbH2PO4, have been shown to exhibit an abrupt, several-order-of-magnitude increase in their proton conductivity when heated above a temperature threshold. This so called superprotonic behavior allows the above-mentioned materials to function as fuel cell electrolytes at temperatures between 150C and 300C, a remarkable application that attracted significant interest especially from the automobile industry. Yet, the microscopic structures and dynamic mechanisms responsible for this behavior are not fully understood. In fact, until very recently, the very nature of the superprotonic behavior has been debate, with some groups attributing the steep proton enhancement …