Isbn: 9786209586774 - abinitio study on ti based mxene materials for solar cell applications: dft study (11 risultati)

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PAP. Condizione: New. New Book. Shipped from UK. Established seller since 2000.

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Taschenbuch. Condizione: Neu. ABINITIO STUDY ON TI BASED MXENE MATERIALS FOR SOLAR CELL APPLICATIONS | DFT STUDY | D S Jayalakshmi (u. a.) | Taschenbuch | Englisch | 2026 | LAP LAMBERT Academic Publishing | EAN 9786209586774 | Verantwortliche Person für die EU: SIA OmniScriptum Publishing, Brivibas Gatve 197, 1039 RIGA, LETTLAND, customerservice[at]vdm-vsg[dot]de | Anbieter: preigu.…

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This work presents a first-principles study of the structural, electronic, and optical properties of Ti-based MXene-derived compounds TiC . Si . , TiC . Se . , and TiSi . Se . in bulk and layered forms. Calculations were performed using the FP-LAPW method within density functional theory as implemented in WIEN2k, employing the non-spin-polarized PBE functional. Structural optimization confirms that all compounds crystallize in the stable cubic phase with space group Fm-3m (#225). Electronic band structures and density of states reveal metallic behavior with no band gap at the Fermi level. The dominant contribution near the Fermi energy arises from Ti-3d states, with significant hybridization from C-2p, Si-3p, and Se-4p orbitals. Optical properties including dielectric function, refractive index, reflectivity, and absorption coefficient indicate strong absorption in the visible region. Layered structures exhibit reduced reflectivity and anisotropic optical response, enhancing light absorption. Among the studied materials, TiC . Si . shows a high infrared refractive index, suggesting improved light-matter interaction. These findings highlight the potential of layered Ti materials. 68 pp. Englisch.…

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Paperback. Condizione: new. Paperback. This work presents a first-principles study of the structural, electronic, and optical properties of Ti-based MXene-derived compounds TiC0.5Si0.5, TiC0.5Se0.5, and TiSi0.5Se0.5 in bulk and layered forms. Calculations were performed using the FP-LAPW method within density functional theory as implemented in WIEN2k, employing the non-spin-polarized PBE functional. Structural optimization confirms that all compounds crystallize in the stable cubic phase with space group Fm-3m (#225). Electronic band structures and density of states reveal metallic behavior with no band gap at the Fermi level. The dominant contribution near the Fermi energy arises from Ti-3d states, with significant hybridization from C-2p, Si-3p, and Se-4p orbitals. Optical properties including dielectric function, refractive index, reflectivity, and absorption coefficient indicate strong absorption in the visible region. Layered structures exhibit reduced reflectivity and anisotropic optical response, enhancing light absorption. Among the studied materials, TiC0.5Si0.5 shows a high infrared refractive index, suggesting improved light-matter interaction. These findings highlight the potential of layered Ti materials. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.…

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -This work presents a first-principles study of the structural, electronic, and optical properties of Ti-based MXene-derived compounds TiC¿.¿Si¿.¿, TiC¿.¿Se¿.¿, and TiSi¿.¿Se¿.¿ in bulk and layered forms. Calculations were performed using the FP-LAPW method within density functional theory as implemented in WIEN2k, employing the non-spin-polarized PBE functional. Structural optimization confirms that all compounds crystallize in the stable cubic phase with space group Fm-3m (#225). Electronic band structures and density of states reveal metallic behavior with no band gap at the Fermi level. The dominant contribution near the Fermi energy arises from Ti-3d states, with significant hybridization from C-2p, Si-3p, and Se-4p orbitals. Optical properties including dielectric function, refractive index, reflectivity, and absorption coefficient indicate strong absorption in the visible region. Layered structures exhibit reduced reflectivity and anisotropic optical response, enhancing light absorption. Among the studied materials, TiC¿.¿Si¿.¿ shows a high infrared refractive index, suggesting improved light-matter interaction. These findings highlight the potential of layered Ti materials.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 68 pp. Englisch. …

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - This work presents a first-principles study of the structural, electronic, and optical properties of Ti-based MXene-derived compounds TiC . Si . , TiC . Se . , and TiSi . Se . in bulk and layered forms. Calculations were performed using the FP-LAPW method within density functional theory as implemented in WIEN2k, employing the non-spin-polarized PBE functional. Structural optimization confirms that all compounds crystallize in the stable cubic phase with space group Fm-3m (#225). Electronic band structures and density of states reveal metallic behavior with no band gap at the Fermi level. The dominant contribution near the Fermi energy arises from Ti-3d states, with significant hybridization from C-2p, Si-3p, and Se-4p orbitals. Optical properties including dielectric function, refractive index, reflectivity, and absorption coefficient indicate strong absorption in the visible region. Layered structures exhibit reduced reflectivity and anisotropic optical response, enhancing light absorption. Among the studied materials, TiC . Si . shows a high infrared refractive index, suggesting improved light-matter interaction. These findings highlight the potential of layered Ti materials. …