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Semiconducting quantum dots (Q-dots) with strain-tunable electronic properties are good contenders for quantum computing devices, as they hold promise to exhibit a high level of photon entanglement. The optical and electronic properties of Q-dots vary with their size, shape, and makeup. An assortment of Q-dots has been studied, including ZnO, ZnS, CdSe and perovskites [1]. We have employed both Raman spectroscopy (to precisely determine their vibrational frequencies) and UV-VIS spectroscopy (to determine accurately their band gap energies). The electronic band structure and density of states of the ZnO and ZnS Q-dots have been investigated under strain using Density Functional Theory (DFT). The computer program SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) was used to perform the DFT calculations via the linear combination of atomic orbitals (LCAO) method. The spin polarization of such systems may itself be used to encode information or influence the electronic properties of semiconducting Q-dots, which deserve special attention, as they have potential applications in lasers, photovoltaic cells, and imaging. In addition, we have investigated pristine and functionalized graphene nanoplatelets and metal oxides for sensing applications.more » « less
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Manganaro, Nicholas S; Ambos, Scott D; DeCapua, Matthew; Thiel, Scott D; Mitchell, Wyatt E; Liu, Zhenxian; Zhang, Dongzhou; Nguyen, Phuong_Q H; Lavina, Barbara; Alp, Esen Ercan; et al (, Inorganic Chemistry)The delafossites are a class of layered metal oxides that are notable for being able to exhibit optical transparency alongside an in-plane electrical conductivity, making them promising platforms for the development of transparent conductive oxides. Pressure-induced polymorphism offers a direct method for altering the electrical and optical properties in this class, and although the copper delafossites have been studied extensively under pressure, the silver delafossites remain only partially studied. We report two new high-pressure polymorphs of silver ferrite delafossite, AgFeO2, that are stabilized above ∼6 and ∼14 GPa. In situ X-ray diffraction and vibrational spectroscopy measurements are used to examine the structural changes across the two phase transitions. The high-pressure structure between 6 and 14 GPa is assigned as a monoclinic C2/c structure that is analogous to the high-pressure phase reported for AgGaO2. Nuclear resonant forward scattering reveals no change in the spin state or valence state at the Fe3+ site up to 15.3(5) GPa.more » « less
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