On the formation mechanisms and properties of MAX phases: A review
Z Zhang, X Duan, D Jia, Y Zhou… - Journal of the European …, 2021 - Elsevier
MAX phases are a family of ternary carbide or nitride ceramics possessing a layered crystal
structure and, due to their chemical bonds having a mixed covalent-ionic-metallic nature …
structure and, due to their chemical bonds having a mixed covalent-ionic-metallic nature …
A Glimpse on the plethora of applications of prodigious material MXene
MXene is an emerging 2D material with rare combination of properties like electric and
metallic conductivity, hydrophilicity, biocompatibility, large surface area, size tunability, rich …
metallic conductivity, hydrophilicity, biocompatibility, large surface area, size tunability, rich …
Exploring the structural, phonon dynamical, mechanical and thermodynamic properties of TM2AlC (TM= Ti, Zr and Hf) carbides
Y Pan, Z Yang, H Zhang - Diamond and Related Materials, 2024 - Elsevier
Although TM 2 AlC is a promising high-temperature material, the relationship between the
mechanical and thermodynamic properties of TM 2 AlC is unknown. In particular, the …
mechanical and thermodynamic properties of TM 2 AlC is unknown. In particular, the …
First-principles study of electronic, mechanical, and optical properties of M3GaB2 (M= Ti, Hf) MAX phases
Integrating ceramic and metallic properties in MAX phases makes them highly desirable for
diverse technological applications. In this study, through first-principles density functional …
diverse technological applications. In this study, through first-principles density functional …
Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures
Q Zhang, Y Zhou, X San, W Li, Y Bao, Q Feng… - Journal of Advanced …, 2022 - Springer
The ternary or quaternary layered compounds called MAB phases are frequently mentioned
recently together with the well-known MAX phases. However, MAB phases are generally …
recently together with the well-known MAX phases. However, MAB phases are generally …
From wide band gap semiconductor to visible light responsive material: The role of Li in K2PdO2
Abstract The study used Density Functional Theory (DFT) first-principles calculations to
analyze the impact of lithium insertion on K 2 PdO 2, a wide band gap semiconductor with …
analyze the impact of lithium insertion on K 2 PdO 2, a wide band gap semiconductor with …
Origin of high hardness and optoelectronic and thermo-physical properties of boron-rich compounds B6X (X= S, Se): a comprehensive study via DFT approach
In the present study, the structural and hitherto uninvestigated mechanical (elastic stiffness
constants, machinability index, Cauchy pressure, anisotropy indices, brittleness/ductility …
constants, machinability index, Cauchy pressure, anisotropy indices, brittleness/ductility …
First‐principles investigation of structural, mechanical, and optoelectronic properties of Hf2AX (A═Al, Si and X═C, N) MAX phases
In this work, we have employed the first‐principles calculations to investigate the phase
stability and mechanical and optoelectronic characteristics of Hf2AX (A═ Al, Si and X═ C …
stability and mechanical and optoelectronic characteristics of Hf2AX (A═ Al, Si and X═ C …
[HTML][HTML] A comprehensive DFT based insights into the physical properties of tetragonal superconducting Mo5PB2
Tetragonal Mo 5 PB 2, a recently discovered superconductor, is an extension of transition
metal binaries with general formula T 5 M 3. A large number of physical properties of Mo 5 …
metal binaries with general formula T 5 M 3. A large number of physical properties of Mo 5 …
The Rise of 212 MAX Phase Borides: DFT Insights into the Physical Properties of Ti2PB2, Zr2PbB2, and Nb2AB2 [A = P, S] for Thermomechanical Applications
In this article, ab initio calculations of unexplored Ti2PB2, Zr2PbB2, and Nb2AB2 [A= P, S]
were performed wherein Ti2PB2 along with its 211 boride phase Ti2PB was predicted for …
were performed wherein Ti2PB2 along with its 211 boride phase Ti2PB was predicted for …