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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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Controllable Perovskite Crystallization at a Gas–Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%
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Revealing the Relationship between Semiconductor Electronic Structure and Electron Transfer Dynamics at Metal Oxide–Chromophore Interfaces
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Orientation-Dependent Electronic Structures and Optical Properties of the P3HT:PCBM Interface: A First-Principles GW-BSE Study
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Study of the C60/Ag Interface of a Large Area Nanoarchitectured Ag Substrate Using Surface-Enhanced Raman Scattering
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Interface engineering in inorganic-absorber nanostructured solar cells
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Introducing Ionic and/or Hydrogen Bonds into the SAM//Ga2O3 Top-Interface of Ag-TS/S(CH2)(n)T//Ga2O3/EGaIn Junctions
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Control of Interface Order by Inverse Quasi-Epitaxial Growth of Squaraine/Fullerene Thin Film Photovoltaics
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A polarity-induced defect mechanism for conductivity and magnetism at polar–nonpolar oxide interfaces
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The IKK-binding domain of NEMO is an irregular coiled coil with a dynamic binding interface
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Computational design of patterned interfaces using reduced order models
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Temperature driven assembly of like-charged nanoparticles at non-planar liquid–liquid or gel–air interfaces
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Effect of Interface energy and electron transfer on shape, plasmon resonance and SERS activity of supported surfactant-free gold nanoparticles
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Wavelength dependent photochemical charge transfer at the Cu 2 O–BiVO 4 particle interface – evidence for tandem excitation
Surface photovoltage spectroscopy resolves wavelength-dependent photochemical charge transfer between irregularly shaped BiVO 4 and Cu 2 O particles for the first time.
Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface
The charge transfer reaction is the fundamental reaction for rechargeable batteries.
Flow effects on silicate dissolution and ion transport at an aqueous interface
Combination of the classical density functional theory with kinetics modeling and the Navier–Stokes equation enables a quantitative description of the convoluted effects of fluid flow, surface reactions, interfacial structure and mass transport.
Lithium oxidation and electrolyte decomposition at Li-metal/liquid electrolyte interfaces
In this work, we examine the evolution of events occurring when a Li metal surface is in contact with a 2 M solution of a Li salt in a solvent or mixture of solvents, via classical molecular dynamics simulations with a reactive force field allowing bond breaking and bond forming. The main events include Li oxidation and electrolyte reduction along with expansion of the Li surface layers forming a porous phase that is the basis for the formation of the solid-electrolyte interphase (SEI) components. Nucleation of the main SEI components (LiF, Li oxides, and some organics) is characterized. The analysis clearly reveals the details of these physical–chemical events as a function of time, during 20 nanoseconds. The effects of the chemistry of the electrolyte on Li oxidation and dissolution in the liquid electrolyte, and SEI nucleation and structure are identified by testing two salts: LiPF 6 and LiCF 3 SO 3 , and various solvents including ethers and carbonates and mixtures of them. The kinetics and thermodynamics of Li 6 F, the core nuclei in the LiF crystal, are studied by analysis of the MD trajectories, and via density functional theory calculations respectively. The SEI formed in this computational experiment is the “native” film that would form upon contact of the Li foil with the liquid electrolyte. As such, this work is the first in a series of computational experiments that will help elucidate the intricate interphase layer formed during battery cycling using metal anodes.