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.
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.
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.
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.
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.
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.
Dominik Kubicki – @DominikJKubicki
Doping with metals, non-metals, and small organic molecules is essential for enhancing the optoelectronic properties of metal halide perovskites. Those dopants are typically present in only very small quantities, so it is challenging to study them. I will show how solid-state MAS NMR can help.
Jinlei Cui – @cui_jinlei
2D EXSY NMR and molecular dynamics (MD) simulations are applied to investigate the diffusivity of anions of an RTIL (BMIM+–TFSI–), dissolved in five different organic solvents, in the micropores of activated carbon. The comparisons of ion diffusivities between the experiments and the MD simulations suggest the need to consider also the surface functionalities of activated carbon for the simulation of ion diffusion in the micropores of activated carbon.
Bhargy Sharma – @BhargySharma
In our research, we study a protein-based biopolymer – the slime from velvet worms. This slime has unique physico-chemical properties which can inspire novel recyclable sustainable materials. Combining bioinformatics and biophysical tools, we propose the mechanism of structural transitions from viscous crude slime solution to fibers with high tensile stiffness.
Amit Bhattacharya – @AmitB0021
Solid-state NMR spectroscopy is used to delve into the local structural variation in photovoltaic Cu2Zn1–xCdxSnS4 materials and their conversion to a stannite phase upon critical Cd-loading. 113Cd NMR spectroscopy reveals the coexistence of stannite and kesterite. 63Cu NMR data combined with DFT computations resolve the conundrum of Cu/Zn disorder.
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