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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Structural, spectroscopic and theoretical analyses of mer-MBr3(OPcy3)3 (M = Am, Nd, Pr, Ce, La) reveal significant amounts of metal based p-orbital contribution.
Multi-response maps show that atomically dispersed iron on alumina provides relatively high activity and good stability in low temperature CO oxidation.
Stable and redox active metal–organic frameworks were constructed by incorporating Zr 6 clusters and redox-active TTF-based linkers, which allow in situ generation and stabilization of ultra-small noble metal nanoparticles for heterogenous catalysis.
Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.
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Stress is known to strongly alter the effective mass in semiconductors, changing the mobility of carriers. Transport measurements on AlGaN/GaN heterostructures indicated a large increase in mobility under tensile strain [M. Azize and T. Palacios, J. Appl. Phys. 108, 023707 (2010)]. Using first-principles methods, we calculate the variation of electron effective mass in GaN and AlN under hydrostatic and biaxial stress. Unexpected trends are found, which are explained within k·pk·p theory through a variation of the interband momentum matrix elements. The magnitude of the effective-mass reduction is too small to explain the experimentally reported increase in mobility.
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The thermoelectric properties of III-nitride materials are of interest due to their potential use for high temperature power generation applications and the increasing commercial importance of the material system; however, the very large parameter space of different alloy compositions, carrier densities, and range of operating temperatures makes a complete experimental exploration of this material system difficult. In order to predict thermoelectric performances and identify the most promising compositions and carrier densities, the thermoelectric properties of InxGa1-xN, InxAl1-xN, and AlxGa1-xN are modeled. The Boltzmann transport equation is used to calculate the Seebeck coefficient, electrical conductivity, and the electron component of thermal conductivity. Scattering mechanisms considered for electronic properties include ionized impurity, alloy potential, polar optical phonon, deformation potential, piezoelectric, and charged dislocation scattering. The Callaway model is used to calculate the phonon component of thermal conductivity with Normal, Umklapp, mass defect, and dislocation scattering mechanisms included. Thermal and electrical results are combined to calculate ZT values. InxGa1-xN is identified as the most promising of the three ternary alloys investigated, with a calculated ZT of 0.85 at 1200 K for In0.1Ga0.9N at an optimized carrier density. AlxGa1-xN is predicted to have a ZT of 0.57 at 1200 K under optimized composition and carrier density. InxAl1-xN is predicted to have a ZT of 0.33 at 1200 K at optimized composition and carrier density. Calculated Seebeck coefficients, electrical conductivities, thermal conductivities, and ZTs are compared with experimental data where such data are available.
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