Recent advances on surface metal hydrides studied by solid-state nuclear magnetic resonance spectroscopy

Gao, Pan; Hou, Guangjin

doi:10.1016/j.mrl.2022.09.001

Cited by 4 publications

(2 citation statements)

References 64 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…After subtraction of the instrument background, the 1 H MAS NMR spectra from the samples are displayed in Figure . 1 H NMR chemical shifts of metal hydrides are often in the range of 0–60 ppm, , and PbH 2 is known to have a 1 H NMR shift of 31.3 ppm …”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

β-Phase Yb₅Sb₃H_x: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

Hauble,

Kimberly,

Ciesielski

et al. 2024

Inorg. Chem.

View full text Add to dashboard Cite

An electride is a compound that contains a localized electron in an empty crystallographic site. This class of materials has a wide range of applications, including superconductivity, batteries, photonics, and catalysis. Both polymorphs of Yb 5 Sb 3 (the orthorhombic Ca 5 Sb 3 F structure type (β phase) and hexagonal Mn 5 Si 3 structure type (α phase)) are known to be electrides with electrons localized in 0D tetrahedral cavities and 1D octahedral chains, respectively. In the case of the orthorhombic β phase, an interstitial H can occupy the 0D tetrahedral cavity, accepting the anionic electron that would otherwise occupy the site, providing the formula of Yb 5 Sb 3 H x . DFT computations show that the hexagonal structure is energetically favored without hydrogen and that the orthorhombic structure is more stable with hydrogen. Polycrystalline samples of orthorhombic β phase Yb 5 Sb 3 H x (x = 0.25, 0.50, 0.75, 1.0) were synthesized, and both PXRD lattice parameters and 1 H MAS NMR were used to characterize H composition. Magnetic and electronic transport properties were measured to characterize the transition from the electride (semimetal) to the semiconductor. Magnetic susceptibility measurements indicate a magnetic moment that can be interpreted as resulting from either the localized antiferromagnetically coupled electride or the presence of a small amount of Yb 3+ . At lower H content (x = 0.25, 0.50), a low charge carrier mobility consistent with localized electride states is observed. In contrast, at higher H content (x = 0.75, 1.0), a high charge carrier mobility is consistent with free electrons in a semiconductor. All compositions show low thermal conductivity, suggesting a potentially promising thermoelectric material if charge carrier concentration can be fine-tuned. This work provides an understanding of the structure and electronic properties of the electride and semiconductor, Yb 5 Sb 3 H x , and opens the door to the interstitial design of electrides to tune thermoelectric properties.

show abstract

Section: Resultsmentioning

confidence: 99%

“…NMR chemical shifts of metal hydrides are often in the range of 0−60 ppm,43,44 and PbH 2 is known to have a 1 H NMR shift of 31.3 ppm 45. 1 H NMR signal intensities for these samples have been normalized by the sample weight.…”

mentioning

confidence: 99%

β-Phase Yb₅Sb₃H_x: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

Hauble,

Kimberly,

Ciesielski

et al. 2024

Inorg. Chem.

View full text Add to dashboard Cite

show abstract

Novel Heterogeneous Pd Catalysts for Cross‐Coupling Reactions in Biocompatible Media: Structural Insights from Solid‐State NMR Techniques

Wissel,

Rösler,

Brodrecht

et al. 2024

ChemCatChem

View full text Add to dashboard Cite

Novel SBA‐15 supported heterogeneous catalysts are synthesized and applied in the Mizoroki‐Heck and the Suzuki‐Miyaura cross coupling reactions in green solvents like PEG or water. The structural properties of the products after each synthesis step are monitored by different analytics. The amount of amine/carboxyl groups and vanillin/histidine methyl ester and thermal stability are determined by TGA and elemental analysis while ICP‐OES delivered the amount of palladium of the catalysts. The morphology is investigated by SEM and XPS and confirms the presence of coordinated palladium in the zero‐oxidation state. Gas adsorption analysis is conducted, which indicates the presence of palladium clusters in one of the two catalysts which is underlined by BSE images combined with EDX. A detailed 13C ssNMR and DNP enhanced 15N ssNMR spectral analysis is presented, which provides ultimate proof of the successful syntheses of the catalysts. The coordination of the palladium onto the carrier material is shown by combining the NMR spectral results with the results of the other analytics. First catalytic tests show for the Mizoroki‐Heck reaction yields up to nearly 100 % and for the Suzuki‐Miyaura up to 88 % in the presence of PEG and water, respectively.

show abstract

A sustainable rapeseed oil-based bio-additive designed for hard asphalt binders: Performance, environmental, and economic assessment

Quan,

Lin,

Chen

et al. 2024

Fuel

View full text Add to dashboard Cite

Recent advances on surface metal hydrides studied by solid-state nuclear magnetic resonance spectroscopy

Cited by 4 publications

References 64 publications

β-Phase Yb₅Sb₃H_x: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

β-Phase Yb₅Sb₃H_x: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

Novel Heterogeneous Pd Catalysts for Cross‐Coupling Reactions in Biocompatible Media: Structural Insights from Solid‐State NMR Techniques

A sustainable rapeseed oil-based bio-additive designed for hard asphalt binders: Performance, environmental, and economic assessment

Contact Info

Product

Resources

About

Recent advances on surface metal hydrides studied by solid-state nuclear magnetic resonance spectroscopy

Cited by 4 publications

References 64 publications

β-Phase Yb5Sb3Hx: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

β-Phase Yb5Sb3Hx: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

Novel Heterogeneous Pd Catalysts for Cross‐Coupling Reactions in Biocompatible Media: Structural Insights from Solid‐State NMR Techniques

A sustainable rapeseed oil-based bio-additive designed for hard asphalt binders: Performance, environmental, and economic assessment

Contact Info

Product

Resources

About

β-Phase Yb₅Sb₃H_x: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor

β-Phase Yb₅Sb₃H_x: Magnetic and Thermoelectric Properties Traversing from an Electride to a Semiconductor