Crystallographic Data. 124. Lithium Hydride, LiH; 125. Lithium Deuteride, LiD

Staritzky, Eugene.; Walker, D.

doi:10.1021/ac60114a043

Cited by 15 publications

(6 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Synthesis and Characterization. Single crystals of NaCu(CN) 2 and KCu(CN) 2 were prepared as described in the literature 33,42 by slow evaporation of a solution of CuCN with NaCN and KCN, respectively. The purity of the harvested crystals was confirmed by X-ray diffraction crystallography and infrared and Raman spectroscopy measurements.…”

Section: ■ Experimental Methodsmentioning

confidence: 99%

An Unusual Luminescent Anionic Copper(I) System: Dicyanocuprate(I) Ion in Nano and Bulky States

Pan

Welch

et al. 2012

J. Phys. Chem. C

View full text Add to dashboard Cite

Anionic dicyanocuprate(I) ions in nano and bulky crystals have been investigated. The doped nanosystems show unusual photophysical properties such as multiple emission bands, thermochromism, and optical memory. In contrast, NaCu(CN) 2 and KCu(CN) 2 have different polymeric structures and exhibit only a single emission peak. This was confirmed by infrared, Raman, and reflectance spectroscopy results. The emission peaks of these doped systems show tunability over a wide wavelength interval, indicating the existence of different {[Cu(CN) 2 ]} n nanoclusters. The thermochromism and optical memory phenomena are due to the population changes of these different-sized nanoclusters. Ab initio DFT calculations for the impurity copper(I) ion in different alkali halides show that the {[Cu(CN) 2 ]} n nanoclusters are examples of excimers and exciplexes. Atomistic modeling describes how the distribution of different nanoclusters varies with the alkali halide hosts.

show abstract

Section: ■ Experimental Methodsmentioning

confidence: 99%

An Unusual Luminescent Anionic Copper(I) System: Dicyanocuprate(I) Ion in Nano and Bulky States

Pan

Welch

et al. 2012

J. Phys. Chem. C

View full text Add to dashboard Cite

show abstract

“…The index of refraction of LiH and quartz have an effect on the measured in situ shock velocity (D) (D actual = D measured /n). The index of LiH at the VISAR wavelength of 532 nm is 2.009(±0.005), from [26]. This FIG.…”

Section: Lih Characterizationmentioning

confidence: 76%

Shock equation of state of LiH6 to 1.1 TPa

et al. 2017

View full text Add to dashboard Cite

Using laser-generated shock waves, we have measured pressure, density and temperature of LiH on the principal Hugoniot between 260 and 1100 GPa (2.6-11 Mbar) and on a second-shock Hugoniot up to 1400 GPa to near 5-fold compression, extending the maximum pressure reached in non-nuclear experiments by a factor of two. We observe the onset of metal-like reflectivity consistent with temperature-induced ionization of the Li 2s electron, and no sign of additional changes in ionization up to the maximum pressure. Our measurements are in good agreement with gas gun, Z-machine and underground test data and are accurately described by quantum molecular dynamics simulations. The results confirm the validity of equation of state models built on an average-atom description of the electron-thermal contribution to the free energy and a density-dependent Grüneisen parameter to describe shock response of LiH over this pressure range.

show abstract

“…Bulk Li 2 B 12 H 12 and LiH have cubic structures. 52,55 In both cases, the (001) surfaces have the lowest energy, with calculated γ 001 = 0.059 and 0.319 J/m 2 for Li 2 B 12 H 12 and LiH, respectively. Crystallites of these materials then have a cubic shape.…”

Section: Resultsmentioning

confidence: 95%

First-Principles Study of LiBH₄ Nanoclusters and Their Hydrogen Storage Properties

2012

View full text Add to dashboard Cite

Recent experimental studies suggest faster desorption kinetics, improved reversibility, and more favorable thermodynamics for confined LiBH 4 nanoparticles as compared to bulk. We study the structures, total energies, and decomposition reactions of LiBH 4 nanoparticles using density functional theory calculations. We find that the reaction energies of nanoclusters with a diameter ≳2 nm are very close to that of bulk LiBH 4 . Only very small clusters with a diameter <1 nm are significantly destabilized relative to the bulk. The thermodynamics of such small clusters is unfavorable, however, and leads to dehydrogenation temperatures that are higher than that of the bulk. Although small (LiBH 4 ) n nanoclusters exhibit a number of different geometries, they show only little variation in the total energy per formula unit. Of all possible decomposition reactions of (LiBH 4 ) n , the reaction where diborane is released, is unfavorable for most cluster sizes, whereas the hydrogen desorption reaction to Li 2 H 12 B 12 is most favorable. This suggests that the experimentally observed improvement of the (de)hydrogenation properties of LiBH 4 can be attributed to an improvement of the kinetics of the latter reaction.

show abstract

Crystallographic Data. 124. Lithium Hydride, LiH; 125. Lithium Deuteride, LiD

Cited by 15 publications

References 0 publications

An Unusual Luminescent Anionic Copper(I) System: Dicyanocuprate(I) Ion in Nano and Bulky States

An Unusual Luminescent Anionic Copper(I) System: Dicyanocuprate(I) Ion in Nano and Bulky States

Shock equation of state of LiH6 to 1.1 TPa

First-Principles Study of LiBH₄ Nanoclusters and Their Hydrogen Storage Properties

Contact Info

Product

Resources

About

Crystallographic Data. 124. Lithium Hydride, LiH; 125. Lithium Deuteride, LiD

Cited by 15 publications

References 0 publications

An Unusual Luminescent Anionic Copper(I) System: Dicyanocuprate(I) Ion in Nano and Bulky States

An Unusual Luminescent Anionic Copper(I) System: Dicyanocuprate(I) Ion in Nano and Bulky States

Shock equation of state of LiH6 to 1.1 TPa

First-Principles Study of LiBH4 Nanoclusters and Their Hydrogen Storage Properties

Contact Info

Product

Resources

About

First-Principles Study of LiBH₄ Nanoclusters and Their Hydrogen Storage Properties