Լեզուների իմացություն
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Effect of 3d transition metal doping (Mn, Fe, Co, Ni) on the electronic and magnetic properties of Pd alloys at low impurity concentrations: An Ab initio study
2026
115620
Հոդված
Towards structure-property prediction in DyF3 nanoclusters
2026
115657
Հոդված
Dielectric function of layered GaSe0.8Te0.2 and emergent all van der Waals optical elements
2026
12551
Հոդված
Machine learning prediction of Hubbard parameter in the DFT+U approach
2026
e01275
Հոդված
First-principles computational design of a novel two-dimensional SHfSiN2 anode for lithium, sodium, and multivalent metal ion batteries
2026
240277
Հոդված
Phosphonic acid-functionalized g-C3N4 nanosheets for chromium (Cr6+) adsorption from aqueous solutions: Experimental insights and density functional theory calculations
2025
113971
Հոդված
First-principles design of GaN–VHC (H = Cl, Br; C = Se, Te) van der Waals heterostructures for advanced optoelectronic applications
2025
13076-13085
Հոդված
Magnetoelectric and spin-lattice effects in Fe/BaTiO3 heterostructure: non-collinear DFT calculations
2025
25203
Հոդված
Realization of Mn6+NIR-II broadband emission in BaCrO4 and its nanolization via liquid-solid method
2025
33045-33055
Հոդված
Design and strain engineering of stable 2D TiSi₂N₄ photocatalyst: first-principles insights into water splitting and visible-light absorption
2025
115415
Հոդված
DFT analysis of furan-based covalent organic framework as electrode materials for lithium and calcium ion batteries
2025
115445
Հոդված
A DFT study on an 18-crown-6-like-N8 structure as a material for metal ion storage: stability and performance
2025
5075-5084
Հոդված
DFT investigation of magnetocrystalline anisotropy in Fe, Co, Pd0.97Co0.03 and Pd0.97Fe0.03 systems: from bulk to thin-films
2025
949
Հոդված
Site preference identification and crystal field analysis of high-efficient and thermal-stable NIR-I emission in NaAl11O17:Fe3+: experimental and DFT investigation
2025
100551