Related papers: Tin+1Cn MXene with fully saturated and thermally s…
Multi-layer Ti3C2Tx coatings have demonstrated an outstanding wear performance with excellent durability due to beneficial tribo-layers formed. However, the involved formation processes dependent on the tribological conditions and coating…
The two-dimensional transition metal carbide/nitride family (MXenes) has garnered significant attention due to their highly customizable surface functional groups. Leveraging modern material science techniques, the customizability of MXenes…
Surface and strain engineering are among the cheaper ways to modulate structure property relations in materials. Due to their compositional flexibilities, MXenes, the family of two-dimensional materials, provide enough opportunity for…
Extensive Monte Carlo simulations are carried out to study thermal stability of an infinite standalone silicon sheet. We used the Tersoff potential that has been used with success for silicon at low temperatures. However, the melting…
New MAX phases Ti2(AlxCu1-x)N and Nb2CuC were synthesized by A-site replacement by reacting Ti2AlN and Nb2AlC, respectively, with CuCl2 or CuI molten salt. X-ray diffraction, scanning electron microscopy, and atomically-resolved scanning…
Interface engineering is one of the promising strategies for the long-term stabilization of perovskite solar cells, preventing chemical decomposition induced by external agents and promoting fast charge transfer. Recently, MXenes-2D…
MXenes stand out from other 2D materials because they combine very good electrical conductivity with hydrophilicity, allowing cost-effective processing as thin films. Therefore, there is a high fundamental interest in unraveling the…
The solidification behavior of a eutectic AlCu specimen is investigated via in situ scanning transmission electron microscope (STEM) experiments. Solidification conditions are varied by imposing various cooling conditions via a…
Modern advances in generating ultrabright electron beams have unlocked unprecedented experimental advances based on synchrotron radiation. Current challenges lie in improving the quality of electron sources with novel photocathode materials…
Two-dimensional transition metal carbides and nitrides (MXenes) are an emerging class of atomically-thin superconductors, whose characteristics are highly prone to tailoring by surface functionalization. Here we explore the use of hydrogen…
FeXMn1-XS (0 <x< 0.3) synthesized on the basis of {\alpha}-MnS are the novel Mott-type substances with the rock salt structure. Neutron diffraction study shows that the shift of the Neel temperature of these materials from 150 (x = 0) to…
MXenes' tunable properties make them excellent candidates for many applications in future nanoelectronics. In this work, we explore the suitability of Sc$_2$CX (X=N$_2$, ON, O$_2$) MXenes to act as the active anode materials in Na-ion based…
Bare and surface-passivated Fe2N, Co2N, and Ni2N MXene were investigated by using density functional theory. Fe2N(OH)2, Fe2NO2, Co2NO2, Ni2NF2, Ni2N(OH)2, and Ni2NO2 are intrinsic half-metals, while other structures have antiferromagnetic…
Metallenes are atomically thin, nonlayered two-dimensional materials. While they have appealing properties, their isotropic metallic bonding makes their stabilization difficult and presents considerable challenges to their synthesis and…
Thermoelectric (TE) materials achieve localised conversion between thermal and electric energies, and the conversion efficiency is determined by a figure of merit zT. Up to date, two-dimensional electron gas (2DEG) related TE materials hold…
We propose a novel class of two-dimensional (2D) Dirac materials in the MX family (M=Be, Mg, Zn and Cd, X = Cl, Br and I), which exhibit graphene-like band structures with linearly-dispersing Dirac-cone states over large energy scales…
Two-dimensional (2D) materials can have an excellent capability to handle high rates of charge in ion batteries since metal ions need not diffuse in a 3D lattice structure. However graphene, which is the most important 2D material, is known…
Using a set of first-principles calculations, we studied the electronic structures of two-dimensional transition metal carbides and nitrides, so called MXenes, functionalized with F, O, and OH. Our projected band structures and electron…
We leverage 3D numerical simulations to study phase change materials (PCMs) cells under the effect of buoyancy forces. The solid PCM is heated from a source boundary, triggering melting. The source features multiple solid fins that protrude…
Recent decades have witnessed the breakthroughs in utilizing electron beams as the smallest tools to tailor materials. Whereas, the manipulation of atoms in a controllable manner by the electron beams is a long-time challenge due to the…