[HTML][HTML] Ab-initio investigation of the fundamental properties of metals (X= Be, Mg, and Ca) encapsulated CsXO3 tin-based perovskite materials

H Louis, CA Anyama, UG Chukwu, AA Ayi… - Results in Optics, 2023 - Elsevier
Perovskite material are widely used in Solar cell device due to it promising properties and
power conversion efficiencies (PCE). Most importantly, properties of the absorber layer such …

DFT study of the crystal structure, elastic and electronic properties of the phases: Ti2InC (1-x) Nx superconductor

M Romero, JE Antonio, EP Arévalo-López, J Pilo… - Journal of Physics and …, 2024 - Elsevier
A systematic study was conducted to investigate the effect of substituting C by N on the
crystal structure and elastic electronic properties in the Ti 2 InC (1-x) N x phases using the …

The influence of Mn content on Fe2B properties and its impact at the αZ‐Fe16C2/Fe2B interface

M Yan, X Shi, H Wei, Y Jiang, J Feng, K Wang - Vacuum, 2024 - Elsevier
Fe–B alloy is widely used in the field of wear resistance, and the collaborative performance
of their precipitated phases and the matrix is of significant interest. This study utilizes first …

Evaluation of Nanocrystalline ZrC under Gamma Irradiation and High Pressure

SF Samadov, AG Asadov, AS Abiyev, E Demir… - Physica B: Condensed …, 2024 - Elsevier
Zirconium carbide (ZrC) is known for its exceptional properties, positioning it as a leading
ultrahigh-temperature ceramic for diverse applications such as coating, oxygen-gettering …

First-principles study of the effect of pressure on the physical properties of PbC

H Muñoz, JE Antonio, JM Cervantes… - Materials Research …, 2023 - iopscience.iop.org
Silicon carbide has been used as a cutting material and as a semiconductor in lighting and
power electronics. Results from some studies, carried out on IV-IV group carbides like GeC …

Reinvestigated the mechanical and thermodynamic characteristics of Zr2CN by the first-principles calculations

Y Chen, H Chen - Materials Today Communications, 2024 - Elsevier
Chang et al. anticipated the portion mechanical characteristics of tetragonal structure Zr 2
CN (P4/mmm, Ceram. Int., 46 (2020) 1124), however, the results deviated greatly from the …

Theoretical study on the structural, electronic, mechanical, vibrational, thermodynamical, and optical properties of the two-dimensional PbC nanomaterials

H Muñoz, RO Escamilla, JM Cervantes… - Physica …, 2023 - iopscience.iop.org
Two-dimensional structures have attracted attention for application in nanoelectronics and
optical devices; then, in this work, we are reporting the predicted physical properties (from …

A Thorough Computational Examination of Zintl-Phased 3-3-2 Stoichiometries in K3Cu3X2 (X= As, P) Pnictide Compounds for Optoelectronic and Thermoelectric …

SM AlTowireb - 2024 - search.proquest.com
Upscaled technologies necessitate suitable materials to address the rising needs in
miniaturized semiconductor industries. The prospective 3-3-2 ternary K 3 Cu 3 As 2 and K 3 …

Reduced Graphene Oxide Nanosheets Decorated with Green Synthesized Silver-Doped Zro2 Nanoparticles Mediated Dalbergia Sissoo Leaf Extract for …

MH Aziz, A Khan, Y Iqbal, R Wahab - Available at SSRN 4999100 - papers.ssrn.com
Greener approach was followed to fabricate zirconium dioxide nanoparticles (ZrO2 NPs)
and silver doped ZrO2 (Ag@ ZrO2) NPs by using Dalbergia sissoo LE. Furthermore …