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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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Role of Surface Structure on Li-ion Energy Storage Capacity of Two-dimensional Transition Metal Carbides
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Structural Origins of Potential Dependent Hysteresis at the Electrified Graphene/Ionic Liquid Interface
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Coverage-Dependent Modification of the Surface Electronic Structure of an Organic-Semiconductor-Adsorbate Layer
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Hierarchically-Structured NiO Nanoplatelets as Mesoscale p-type Photocathodes for Dye-Sensitized Solar Cells
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Structural Transition of MnNb[subscript 2]O[subscript 6] under Quasi-Hydrostatic Pressure
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Electronic Structure and Transition Energies in Polymer–Fullerene Bulk Heterojunctions
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Local Atomic and Electronic Structure of Boron Chemical Doping in Monolayer Graphene
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Structure of the Ca[superscript 2+]-dependent PP2A heterotrimer and insights into Cdc6 dephosphorylation
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Structural and Functional Analysis of mRNA Export Regulation by the Nuclear Pore Complex
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Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions
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Structure, defects and thermal stability of delithiated olivine phosphates
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The Gadonanotubes: Structural Origin of their High-Performance MRI Contrast Agent Behavior
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Vibrational and structural properties of tetramethyltin under pressure
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Anomalous magneto-structural behavior of MnBi explained: A path towards an improved permanent magnet
Low-temperature MnBi (hexagonal NiAs phase) exhibits anomalies in the lattice constants (a, c) and bulk elastic modulus (B) below 100 K, spin reorientation and magnetic susceptibility maximum near 90 K, and, importantly for high-temperature magnetic applications, an increasing coercivity (unique to MnBi) above 180 K. We calculate the total energy and magneto-anisotropy energy (MAE) versus (a, c) using DFT+U methods. We reproduce and explain all the above anomalies. We predict that coercivity and MAE increase due to increasing a, suggesting means to improve MnBi permanent magnets.