相关论文: HAADF-STEM Study of Mo/V Distributions in Mo-V-Te-…
The first vapor phase self-assembled heterocatalytic structure on surface is build from cobalt 5,10,15,20 tetrakis (4-aminophenyl)-21H, 23H-porphine through imide bonds. This heterogeneous catalyst possesses essential thermal and temporal…
Epitaxial growth of \k{appa}-phase Ga2O3 thin films are investigated on c-plane sapphire, GaN- and AlNon-sapphire, and (100) oriented yttria stabilized zirconia (YSZ) substrates via metalorganic chemical vapor deposition (MOCVD). The…
In this work, we perform a follow-up and comprehensive study on the structural details and formation mechanism of chemical vapor deposition (CVD) synthesized one-dimensional (1D) van der Waals heterostructures. Edge structures, nucleation…
Using an ab initio density functional theory (DFT) based electronic structure method, we study the effects of adatoms on the electronic properties of monolayer transition metal dichalcogenide (TMD) Molybdenum-disulfide (MoS2). We consider…
Chemically and mechanically exfoliated MoS$_2$ single-layer samples have substantially different properties. While mechanically exfoliated single-layers are mono-phase (1H polytype with Mo in trigonal prismatic coordination), the chemically…
We investigate the behaviour of nonlinear, nonideal Alfv\'en wave propagation within an inhomogeneous magnetic environment. The governing MHD equations are solved in 1D and 2D using both analytical techniques and numerical simulations. We…
Environmental oxidation has a great impact in tuning the physical, chemical and electronic properties of two-dimensional (2D) monolayers which can affect their practical applications in nanoscale engineering devices under ambient…
We report ab initio calculations of the melting curve of molybdenum for the pressure range 0-400 GPa. The calculations employ density functional theory (DFT) with the Perdew-Burke-Ernzerhof exchange-correlation functional in the projector…
Here, we present a de Haas-van Alphen (dHvA) effect1 study on the newly discovered LaFeAsO1-xFx compounds2,3 in order to unveil the topography of the Fermi surface associated with their antiferromagnetic and superconducting phases, which is…
The adsorption of methanol (CH3OH) at the Fe3O4(001)-c(2x2) surface was studied using X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and temperature-programmed desorption (TPD). CH3OH adsorbs exclusively at…
We report on the low-energy electronic structure of Tantalum ditelluride (1$T'$-TaTe$_2$), one of the charge density wave (CDW) materials from the group V transition metal dichalcogenides using angle-resolved photoemission spectroscopy…
Magnetohydrodynamic (MHD) turbulence plays a central role in many astrophysical processes in the interstellar medium (ISM), including star formation and cosmic-ray transport and acceleration. MHD turbulence can be decomposed into three…
Ti$_3$C$_2$T$_x$ is a leading compound within the MXenes family and can find host in widespread applications. It is synthesized by selectively etching layers from the Ti$_3$AlC$_2$ precursor, and this process typically introduces surface…
Control over crystallographic orientation in metal-organic framework (MOF) thin films is crucial for exploiting their anisotropic properties in sensing, catalysis, and separation. Achieving reproducible, highly oriented films remains…
Two-dimensional materials have attracted considerable attention due to their remarkable electronic, mechanical and optical properties, making them prime candidates for next-generation electronic and optoelectronic applications. Despite…
The morphology of epitaxial structures formed in solidification of liquid Au films on the Au(110) surface was studied by molecular dynamics simulation based on a many--body interatomic potential. The (1x2) reconstructed and smooth phase at…
Photocatalytic and photovoltaic activity depends on the optimal alignment of electronic levels at the molecule/semiconductor interface. Establishing level alignment experimentally is complicated by the uncertain chemical identity of the…
We investigate the kinetics of phase transition between the 2H and 1T$^\prime$ phases in monolayer MoTe$_2$ using atomistic simulations based on a machine learning interatomic potential trained on SCAN-DFT data, combined with mean field…
MoTe2 is the least explored material in the Molybdenum-chalcogen family, which crystallizes in thermodynamically stable semiconducting 2H phase at \textless 500 C and 1T' metallic phase at higher temperatures. Molecular beam epitaxy (MBE)…
Metal-organic frameworks (MOFs) have emerged as promising materials for carbon capture applications due to their high CO2 capacities and tunable properties. Amongst the many possible MOFs, metal-substituted compounds based on M-DOBDC and…