Advances in MXenes-based optical biosensors: A review
Over the last decade MXenes have become a hotspot of materials science as one of the
newest 2-dimensional (2D) materials. Upon the recognition of their distinctive features (eg …
newest 2-dimensional (2D) materials. Upon the recognition of their distinctive features (eg …
Investigation of the structural, elastic, electronic, and optical properties of half-heusler CaMgZ (Z= C, Si, Ge, Sn, Pb) compounds
The structural, elastic, electronic, and optical properties of half-Heusler CaMgZ (Z= C, Si, Ge,
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Sn, Pb) compounds are investigated herein. Density functional theory based on the full …
Structural, mechanical, magnetic, electronic, and thermal investigations of Ag2YB (Y = Nd, Sm, Gd) full-Heusler alloys
B Asma, F Belkharroubi, A Ibrahim, B Lamia… - Emergent …, 2021 - Springer
A series of full-Heusler based on rare earth Ag2YB (Y= Nd, Sm, Gd) are studied by
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
Elastic properties, tensile strength, damage tolerance, electronic and thermal properties of TM3AlC2 (TM= Ti, Zr and Hf) MAX phases: A first-principles study
A Yang, Y Duan, L Bao, M Peng, L Shen - Vacuum, 2022 - Elsevier
This study explored the phase stability of TM 3 AlC 2 (TM= Ti, Zr and Hf) and related ternary
competing MAX phases, as well as the elastic properties, ideal tensile strength, electronic …
competing MAX phases, as well as the elastic properties, ideal tensile strength, electronic …
Surface engineering of MXene quantum dots for the designing of optical metal sensors
Background One of the newly developed two-dimensional (2D) materials, MXenes Quantum
dots (MQDs) has become a hot topic in materials science over the past ten years. Their …
dots (MQDs) has become a hot topic in materials science over the past ten years. Their …
[HTML][HTML] The stability analysis and efficiency of the new MAX-phase compounds M3GaC2 (M: Ti or Zr): A first-principles assessment
The primary goal of this work is to provide a DFT investigation report on the stability and
mechanical, electronic, and thermal properties of the new MAX-phase compounds M 3 GaC …
mechanical, electronic, and thermal properties of the new MAX-phase compounds M 3 GaC …
First-principles calculations to investigate structural, electronics, optical, and mechanical properties of Bi-based novel fluoroperovskites TBiF3 (T= Hg, Xe) for …
The present study investigates the structural, electronics, optical, and mechanical properties
of bismuth-based novel fluoroperovskites TBiF 3 (T= Hg, Xe) with the help of first-principles …
of bismuth-based novel fluoroperovskites TBiF 3 (T= Hg, Xe) with the help of first-principles …
[HTML][HTML] A comprehensive exploration of the physical properties of M2GaB (M= Ti, Zr, Mo, Hf) through DFT method
Abstract The M 2 GaB (M= Ti, Zr, Mo, Hf) MAX phase borides were investigated in the
present study. We have calculated the fracture toughness, brittleness index, acoustic …
present study. We have calculated the fracture toughness, brittleness index, acoustic …
[HTML][HTML] DFT prediction of the stability and physical properties of M2GaB (M= Sc, V, Nb, Ta)
This study explored the physical properties of MAX phase borides, M 2 GaB (M= Sc, V, Nb,
Ta), aided by the density functional theory (DFT) for the first time. The optimized lattice …
Ta), aided by the density functional theory (DFT) for the first time. The optimized lattice …
First‐principles calculations to investigate structural stabilities, mechanical and optoelectronic properties of NbCoSn and NbFeSb half‐Heusler compounds
The aim of this work was to study by means of the full potential linear muffin‐tin orbital
method within generalized gradient approximation (GGA) and GGA+ U approach the various …
method within generalized gradient approximation (GGA) and GGA+ U approach the various …