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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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Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites
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Bifunctional Metal?Organic Layer with Organic Dyes and Iron Centers for Synergistic Photoredox Catal
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The Impact of Volatile Organic Compounds and Oxides of Nitrogen on Ground‐Level Ozone and Secondary Organic Aerosols Formation Over the Triad Region in North Carolina
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Elevated nitrogenous organics in aloft atmospheric particles across the United States
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Rapid mechanochemical synthesis of metal?organic frameworks using exogenous organic base
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Resolving the organization of CO 2 molecules confined in silica nanopores using in situ small-angle neutron scattering and molecular dynamics simulations
This work quantifies the core–shell structure of nano-confined CO 2 molecules under pressure in silica pores using in operando small-angle neutron scattering (SANS) measurements and molecular dynamics simulations.
An asymmetrical A-DAD-A-type acceptor simultaneously enhances voltage and current for efficient organic solar cells
Abstract not provided
The effect of aromatic ring size in electron deficient semiconducting polymers for n-type organic thermoelectrics
Abstract not provided
A rare 4-fold interpenetrated metal–organic framework constructed from an anionic indium-based node and a cationic dicopper linker
We describe the synthesis and structure of a charged unique 4-fold interpenetrated MOF constructed from a new dicationic Robson-type dicarboxylate linker and a 4-connected In 3+ node.
Low temperature structures and magnetic interactions in the organic-based ferromagnetic and metamagnetic polymorphs of decamethylferrocenium 7,7,8,8-tetracyano- p -quinodimethanide, [FeCp* 2 ]˙ + [TCNQ]˙ −
To identify the genesis of the differing magnetic behaviors for the ferro- (FO) and metamagnetic (MM) polymorphs of [FeCp* 2 ][TCNQ] the low temperature structures of each polymorph were determined from high-resolution synchrotron powder diffraction data.
AIMNet2: a neural network potential to meet your neutral, charged, organic, and elemental-organic needs
Machine learned interatomic potentials (MLIPs) are reshaping computational chemistry practices because of their ability to drastically exceed the accuracy-length/time scale tradeoff.
Metal-organic frameworks for selective capture of volatile organic compounds as breath-based biomarkers
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Entrapment of Volatile Organic Compounds in Defective UiO-66 Metal-Organic-Framework: Ab Initio Molecular Dynamics Simulations at 300K
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