Tag: Materials science NMR

  • Revealing the Dehydration/Deuteration Processes at the Liquid-Solid Interface by Nuclear Magnetic Resonance Spectroscopy

    Chuanyu Yan – @yan_chuanyu

    The liquid-solid interface is of great importance in fundamental and applied research. However, the in-situ characterization of liquid-solid interfaces is very challenging. In this work, we demonstrated that {1H–29Si-}1H multiple-contact cross polarization with indirect detection (MCPi) solid-state nuclear magnetic resonance (ssNMR) spectroscopy is an excellent tool for studying dehydration and deuterium exchange at the solvent-silica interface.

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  • Understanding the interfacial region in organic ionic composite materials

    Yady Senayda Garcia Castillo – @yadygarcia89

    Composites between OIPCs and polymer particles have recently been of interest because they combine the non-flammability, non-volatility, plasticity, electrochemical, and thermal stability of OIPCs, while at the same offering the mechanical stability provided by the polymer. ssNMR is implemented to study the structural changes and ions dynamics and is correlated with Electrochemical Impedance Spectroscopy (EIS) to determine the ion transport in the composite. It is expected that the composite will take advantage of the intrinsic properties of the OIPC like plasticity, the mechanical strength of the polymer, and the formation of the interphase between them, which will add new properties.

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  • Overhauser Dynamic Nuclear Polarization to study local water dynamics in polymer solution

    Thomas Webber – @ThomasW35463255

    Overhauser Dynamic Nuclear Polarization (ODNP) is a novel magnetic resonance tool which combines NMR and EPR to study local (within 1 nm) water dynamics near spin-labeled surfaces. I apply ODNP to study water diffusion in aqueous polymer systems, showing that polymer crowding slows molecular water significantly.

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  • Resonance with a cause: applying NMR and NQR spectroscopy to inorganic metal bromides

    Riley W. Hooper – @rileyhooper97

    Halogen NMR and NQR spectroscopy is often challenging due to large quadrupole moments for the NMR-active nuclei of Cl, Br, and I. Nevertheless, these nuclei can provide invaluable structural and dynamic information for materials. We have studied two such examples of lead-bromide materials via 79/81Br NMR and NQR spectroscopy.

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  • Probing the atomic-level structure of LiPON amorphous electrolytes of microbatteries using solid-state NMR

    Racha Bayzou – @RBayzou

    Amorphous LiPON thin-films are the standard electrolytes for all-solid microbatteries. They are prepared by the radiofrequency sputtering from Li3PO4 targets under a pure N2 atmosphere. In this work, we elucidate the relationships between deposition conditions and local atomic-level structure using 31P, 7Li and 14N solid-state NMR.

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  • Towards Endogeneous DNP-NMR in semiconducting nanoparticles

    Ran Eitan Abutbul – @RanEitanAbutbul

    This work demonstrates the endogenous DNP approach in nanoparticles where the polarizing agents are transition metal ions with unpaired electrons incorporated in the inorganic lattice. CdS:Mn nanoparticles were synthesized and characterized using TEM, EPR, and ICP-MS. Significant DNP enhancement for 113Cd nuclei surface and core moieties was observed.

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  • NMR insights into the impact of Al incorporation on the structure and dynamics of β-Li3PS4

    Hongtao Qu – @QuHongtao

    We investigate the impact of Al incorporation on the structure and dynamics of Al-doped lithium thiophosphates (Li3-3xAlxPS4) based on β-Li3PS4. 27Al and 6Li MAS NMR spectra confirm that Al3+ ions occupy octahedral sites in the structure. Quantitative analyses of 27Al NMR that the maximum Al incorporation is x=0.06 in Li3-3xAlxPS4. NMR relaxometry shows that the activation barrier for long-range Li ion diffusion in β-Li3PS4 hardly changes upon Al incorporation, but the onset temperature for doping comes down significantly. The activation barrier in the subsequently formed multiphase material decreases significantly, however, indicating a different more efficient Li ion conduction pathways.

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  • Solid-state 31P NMR study of Ca/Mg modified biochars aiming application as slow-release phosphate fertilisers

    Mariana Coelho Santoro – @marianacsantoro

    This work describes a solid-state 31P NMR investigation of the chemical nature of adsorbed phosphate groups in Ca/Mg modified biochars. Biomass was used to synthesise steam-activated biochars, followed by precipitation of Ca or Mg metals for later adsorption of phosphates from phosphate-rich solutions, aiming the obtention of a material with bioavailable phosphate forms to be used as slow-release fertilisers. The 31P NMR results showed that the Mg/modified biochars had a higher phosphate adsorption capacity. Also, signals with distinct chemical shifts and linewidths were observed in the spectra of samples immersed in different phosphate solutions.

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  • Characterization of phosphorus clusters via multiple quantum solid state NMR

    Lokeswara Rao Potnuru – @lokeswarnmr

    Nonclassical growth pathways are generally confined to analysis via microscopy and X-Ray techniques due to prenucleation cluster size and stability constraints. Herein, we describe a novel technique for analyzing prenucleation cluster formation via 31P NMR spin counting of vitrified samples, which allows for atomic systems to be analyzed at varying time points.

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  • Electrochemical Complexation of Polyatomic Aluminum Ions to Heterogeneous Organic Electrode Samples Investigated Using Solid-State Dipolar-Mediated NMR Methods

    Leo W. Gordon – @Leowgordon

    https://twitter.com/LeoWGordon/status/1554864028702343168?s=20&t=w6CYn9NvW42_bVr3GgCU6Q

    Rechargeable aluminum-organic batteries consist of Earth-abundant materials with tunable properties. However, due to the complexity of these systems there is no complete, experimentally validated mechanism in the literature. We employ solid-state NMR methodologies to investigate the electrochemical enolization mechanism of quinones, while also elucidating the nature of their electroactive ions.

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