Cargando…

Recently synthesized (Ti(1−x)Mo(x))(2)AlC (0 ≤ x ≤ 0.20) solid solutions: deciphering the structural, electronic, mechanical and thermodynamic properties via ab initio simulations

The structural, electronic, mechanical and thermodynamic properties of (Ti(1−x)Mo(x))(2)AlC (0 ≤ x ≤ 0.20) were explored using density functional theory. The obtained lattice constants agree well with the experimental values. The electronic band structure confirms the metallic nature. Strengthening...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ali, M. A., Naqib, S. H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056384/ https://www.ncbi.nlm.nih.gov/pubmed/35520673 http://dx.doi.org/10.1039/d0ra06435a

Ejemplares similares

Theoretical investigation of the MXene precursors Mo(x)V(4-x)AlC(3) (0 ≤ x ≤ 4)
por: Moreno-Armenta, Ma. Guadalupe, et al.
Publicado: (2023)

Structural, morphological, Raman, dielectric and electrical properties of La(1−2x)Ba(x)Bi(x)FeO(3) (0.00 ≤ x ≤ 0.20) compounds
por: Benali, E. M., et al.
Publicado: (2021)

Ab-Initio Investigations of Magnetic Properties and Induced Half-Metallicity in Ga(1−x)Mn(x)P (x = 0.03, 0.25, 0.5, and 0.75) Alloys
por: Laref, Amel, et al.
Publicado: (2017)

An ab-initio study on structural, elastic, electronic, bonding, thermal, and optical properties of topological Weyl semimetal TaX (X = P, As)
por: Naher, M. I., et al.
Publicado: (2021)

A Promising Proton Conducting Electrolyte BaZr(1-x)Ho(x)O(3-δ) (0.05 ≤ x ≤ 0.20) Ceramics for Intermediate Temperature Solid Oxide Fuel Cells
por: Saini, Deepash S., et al.
Publicado: (2020)

Thermodynamic and Ab Initio Design of Multicomponent Alloys Based on (Fe(50)Mn(30)Co(10)Cr(10))-xBx (x = 0, 5, 7, 10, and 15 at.%)
por: Vargas-Osorio, Rodrigo, et al.
Publicado: (2023)

Ab initio nonrigid X-ray nanotomography
por: Odstrcil, Michal, et al.
Publicado: (2019)

Self-Assembled Interwoven Nanohierarchitectures of NaNbO(3) and NaNb(1–x)Ta(x)O(3) (0.05 ≤ x ≤ 0.20): Synthesis, Structural Characterization, Photocatalytic Applications, and Dielectric Properties
por: Farooq, Umar, et al.
Publicado: (2022)

Dielectric and magnetic characteristics of Ca(1−x)Mn(x)MoO(4) (0 ≤ x ≤ 0.15) nanomaterials
por: Groń, T., et al.
Publicado: (2018)

Influence of Molybdenum on the Microstructure, Mechanical Properties and Corrosion Resistance of Ti(20)Ta(20)Nb(20)(ZrHf)(20−x)Mo(x) (Where: x = 0, 5, 10, 15, 20) High Entropy Alloys
por: Glowka, Karsten, et al.
Publicado: (2022)

Influence of Hafnium Addition on the Microstructure, Microhardness and Corrosion Resistance of Ti(20)Ta(20)Nb(20)(ZrMo)(20−x)Hf(x) (where x = 0, 5, 10, 15 and 20 at.%) High Entropy Alloys
por: Glowka, Karsten, et al.
Publicado: (2023)

Domain wall motion in Pb(Zr(0.20)Ti(0.80))O(3) epitaxial thin films
por: Borderon, C., et al.
Publicado: (2017)

Comparative Measurements and Analysis of the Electrical Properties of Nanocomposites Ti(x)Zr(1−x)C+α-Cy (0.0 ≤ x ≤ 1.0)
por: Żukowski, Paweł, et al.
Publicado: (2022)

Mixing thermodynamics and electronic structure of the Pt(1−x)Ni(x) (0 ≤ x ≤ 1) bimetallic alloy
por: Botha, Louise M., et al.
Publicado: (2019)

Polarization induced self-doping in epitaxial Pb(Zr(0.20)Ti(0.80))O(3) thin films
por: Pintilie, Lucian, et al.
Publicado: (2015)

Structural Evolution and Microwave Dielectric Properties of Ba(1–x)Sr(x)Ti(4)O(9), (0.0 ≤ x ≤ 0.06) Ceramics
por: Ali, Asad, et al.
Publicado: (2022)

Effect of Si on the oxidation reaction of α-Ti(0 0 0 1) surface: ab initio molecular dynamics study
por: Bhattacharya, Somesh Kr., et al.
Publicado: (2017)

Structural, optical and conductivity properties in tetragonal BaTi(1−x)Co(x)O(3) (0≤ x ≤0.1)
por: Phong, L. T. H., et al.
Publicado: (2022)

Microstructure and First Hydrogenation Properties of TiHfZrNb(1−x)V(1+x) Alloy for x = 0, 0.1, 0.2, 0.4, 0.6 and 1
por: Sleiman, Salma, et al.
Publicado: (2022)

Tables of the Bessel function Y0(x), Y1(x), K0(x), K1(x) 0 =< x =< 1
por: National Bureau of Standards. Washington, DC
Publicado: (1952)

The investigation of structural and vibrational properties and optical behavior of Ti-doped La(0.67)Ba(0.25)Ca(0.08)Mn((1−x))Ti(x)O(3) (x = 0.00, 0.05 and 0.10) manganites
por: Bourguiba, Marwa, et al.
Publicado: (2019)

Structure and dielectric properties of (1-x)Bi(0.5)Na(0.5)TiO(3–x)BaTiO(3) piezoceramics prepared using hydrothermally synthesized powders
por: Nesterović, Andrea, et al.
Publicado: (2021)

Theoretical study of the mechanical properties of CrFeCoNiMo(x) (0.1 ≤ x ≤ 0.3) alloys
por: Liu, Yu, et al.
Publicado: (2020)

Dipole Relaxation in Semiconducting Zn(2−x)Mg(x)InV(3)O(11) Materials (Where x = 0.0, 0.4, 1.0, 1.6, and 2.0)
por: Groń, Tadeusz, et al.
Publicado: (2020)

Tables of the Bessel functions: Y$_{0}$(x), Y$_{1}$(x), K$_{0}$(x), K$_{1}$(x) 0 $\leq$ x $\leq$ 1
por: National Bureau of Standards. Washington, DC
Publicado: (1952)

Long-range ferromagnetic order in perovskite manganite La(0.67)Ba(0.25)Ca(0.08)Mn((1−x))Ti(x)O(3) (x = 0.00, 0.05 and 0.10)
por: Bourguiba, Marwa, et al.
Publicado: (2020)

Ga and Zn increase the oxygen affinity of Cu-based catalysts for the CO(x) hydrogenation according to ab initio atomistic thermodynamics
por: Müller, Andreas, et al.
Publicado: (2022)

Theoretical prediction of two-dimensional BC(2)X (X = N, P, As) monolayers: ab initio investigations
por: Bafekry, A., et al.
Publicado: (2022)

Structural, optical and microwave dielectric properties of Ba(Ti(1−x)Sn(x))(4)O(9), 0 ≤ x ≤ 0.7 ceramics
por: Ali, Asad, et al.
Publicado: (2021)

Study of the effect of the substitution of Fe by Ti on the microstructure and the physical properties of the perovskite system La(0.67)Ca(0.2)Ba(0.13)Fe(1−x)Ti(x)O(3) with x = 0 and 0.03 at low temperatures
por: Dhahri, R., et al.
Publicado: (2023)

Structure and Magnetic Properties of ErFe(x)Mn(12−x) (7.0 ≤ x ≤ 9.0, Δx = 0.2)
por: Gao, Penglin, et al.
Publicado: (2022)

Studies on structural, dielectric and optical properties of (Ba(0.95)Ca(0.05))(1−x)(Ti(0.8)Sn(0.2))(1−x)Na(x)Nb(x)O(3) lead-free ceramics
por: Slimi, H., et al.
Publicado: (2021)

Temperature and E-Poling Evolution of Structural, Vibrational, Dielectric, and Ferroelectric Properties of Ba(1−x)Sr(x)TiO(3) Ceramics (x = 0, 0.1, 0.2, 0.3, 0.4 and 0.45)
por: Suchanicz, Jan, et al.
Publicado: (2023)

Advances in Bcl-xL Research 2.0
por: Kervadec, Joann, et al.
Publicado: (2023)

Hydrothermally synthesized nanostructured LiMn(x)Fe(1−x)PO(4) (x = 0–0.3) cathode materials with enhanced properties for lithium-ion batteries
por: Trinh, Dung V., et al.
Publicado: (2021)

Semi-Empirical Force-Field Model for the Ti(1−x)Al(x)N (0 ≤ x ≤ 1) System
por: Almyras, G. A., et al.
Publicado: (2019)

Magnetocaloric Properties of Mn(1.1)Fe(0.9)P(0.5)As(0.5−x)Ge(x) (0 ≤ x ≤ 0.1) Compounds
por: Wlodarczyk, Patryk, et al.
Publicado: (2017)

Ab Initio Study of Ternary W(5)Si(3) Type TM(5)Sn(2)X Compounds (TM = Nb, Ti and X = Al, Si)
por: Papadimitriou, Ioannis, et al.
Publicado: (2019)

Sintering and Mechanical Properties of (SiC + TiC(x))(p)/Fe Composites Synthesized from Ti(3)AlC(2), SiC, and Fe Powders
por: Wang, Mingtao, et al.
Publicado: (2021)

Exploring Hydrogen Incorporation into the Nb(4)AlC(3) MAX Phases: Ab Initio Calculations
por: Fu, Yudong, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_jkt95hs13c00m3o1s6cq1uhk82