Electronic structure, mechanical and optical properties of hydrogen storage alkaline amides XNH₂ (X = Li, Na) compounds
Alkaline amides XNH₂ (X = Li, Na) were studied to assess their potential for hydrogen storage applications using
first-principles calculations. Structural analyses revealed that LiNH₂ crystallizes in a tetragonal structure (space
group I-4), while NaNH₂ adopts an orthorhombic structure (space group Fddd). The electronic band structure,
calculated using the Generalized Gradient Approximation (GGA), Local Density Approximation (LDA), and
Engel-Vosko Generalized Gradient Approximation (EV-GGA), shows that both materials are wide-bandgap
semiconductors with bandgap values of 4.45 eV for LiNH₂ and 3.97 eV for NaNH₂. The valence bands are
dominated by [NH₂]⁻ states, which play a critical role in hydrogen storage. The mechanical stability of both
compounds was confirmed by elastic constants, with LiNH₂ exhibiting superior mechanical strength compared to
NaNH₂. Phonon dispersion analysis verified the dynamic stability of both materials. Optical properties, such as
refractive index, reflectivity, and absorption coefficient, were evaluated, revealing high optical contrast, making
these materials promising for optoelectronic applications. Thermal behavior analysis indicated that increasing
temperature leads to higher entropy and internal energy, and lower free energy, favoring hydrogen desorption.
The gravimetric hydrogen storage capacities were calculated as 8.78 wt% for LiNH₂ and 5.17 wt% for NaNH₂,
highlighting their potential for energy storage. This study provides novel insights into the structural, electronic,
mechanical, optical, and thermal properties of XNH₂, positioning LiNH₂ as a promising candidate for hydrogen
storage and optoelectronic applications.
Citation
M. LATELLI Hamida,
(2025-01-06),
"Electronic structure, mechanical and optical properties of hydrogen storage alkaline amides XNH₂ (X = Li, Na) compounds",
[national]International Journal of Hydrogen Energy, Elsevier
Substrate Effect On Photoelectrochemicel And Semicondictrise Properties Of Lead Oxide In 0.5 M H2SO4
This work focuses on the photoelectrochemical and semicondictrise study ofthe corrosion layer formed in the dark on Lead and lead-tin alloys in a 0.5Msulfuric acid solution: Electrochemical Impedance Spectroscopy (EIS), LinearSweeping Voltage (LSV), Mott-Schottky plots and photocurrent measurements.The composition was determined respectively by XRD diffraction and SEMelectron microscopy. The findings indicate that the incorporation of tin leads toa reduction in the corrosion layer thickness while significantly enhancing itselectrical conductivity. This effect is attributed to the formation of conductive,non-photoactive tin oxides and the development of a compact interfacial thelayer separating the grid from the positive active material.
Citation
M. LATELLI Hamida, Tawfiq Dilmi, ,
(2024-12-25),
"Substrate Effect On Photoelectrochemicel And Semicondictrise Properties Of Lead Oxide In 0.5 M H2SO4",
[national]Journal of Renewable Energies, Renewable Energy Development Centre
Experimental Study on Enhancing Lead Oxide Photoelectrochemical Efficiency with Tin Substrate Modifications for Renewable Energy Systems
This work focuses on the photoelectrochemical ...
Citation
M. LATELLI Hamida,
(2024-10-20),
"Experimental Study on Enhancing Lead Oxide Photoelectrochemical Efficiency with Tin Substrate Modifications for Renewable Energy Systems",
[national]Journal of Renewable Energies, Renewable Energy Development Center