Silicene, a promising new 2D material
H Oughaddou, H Enriquez, MR Tchalala… - Progress in Surface …, 2015 - Elsevier
Silicene is emerging as a two-dimensional material with very attractive electronic properties
for a wide range of applications; it is a particularly promising material for nano-electronics in …
for a wide range of applications; it is a particularly promising material for nano-electronics in …
Reactive molecular dynamics simulation of early stage of dry oxidation of Si (100) surface
Initial stage of oxidation of Si (100) surface by O 2 molecules was investigated in atomic
scale by molecular dynamics (MD) simulation at 300 K and 1200 K without external …
scale by molecular dynamics (MD) simulation at 300 K and 1200 K without external …
Dihydride dimer structures on the Si (100): H surface studied by low-temperature scanning tunneling microscopy
Surface reconstructions on the hydrogenated Si (100): H surface are observed and
investigated by using a low-temperature (5 K) scanning tunneling microscope (STM). In …
investigated by using a low-temperature (5 K) scanning tunneling microscope (STM). In …
Diffusion of oxygen atom in the topmost layer of the Si (1 0 0) surface: Structures and oxidation kinetics
The incorporations and migrations of the atomic oxygen in the topmost layer Si (100)-p (2×
2) silicon surface, are investigated theoretically using density functional theory. We show …
2) silicon surface, are investigated theoretically using density functional theory. We show …
Strain-driven diffusion process during silicon oxidation investigated by coupling density functional theory and activation relaxation technique
The reaction of oxygen molecules on an oxidized silicon model-substrate is investigated
using an efficient potential energy hypersurface exploration that provides a rich picture of the …
using an efficient potential energy hypersurface exploration that provides a rich picture of the …
Tip-induced oxidation of silicene nano-ribbons
MR Tchalala, H Enriquez, A Bendounan… - Nanoscale …, 2020 - pubs.rsc.org
We report on the oxidation of self-assembled silicene nanoribbons grown on the Ag (110)
surface using scanning tunneling microscopy and high-resolution photoemission …
surface using scanning tunneling microscopy and high-resolution photoemission …
Oxidation of Germanium and Silicon surfaces (100): a comparative study through DFT methodology
C Mastail, I Bourennane, A Estève… - IOP Conference …, 2012 - iopscience.iop.org
Abstract Density Functional Theory calculations are used to map out the preferential oxygen
molecule adsorption sites and oxygen atom incorporation on germanium (100) surface. A …
molecule adsorption sites and oxygen atom incorporation on germanium (100) surface. A …
Self-propagating reaction produces near-ideal functionalization of Si (100) and flat surfaces
MA Hines, MF Faggin, A Gupta… - The Journal of …, 2012 - ACS Publications
Chemical functionalization of the technologically important face of silicon, Si (100), to form a
passivated semiconductor/organic interface would enable a wide variety of applications …
passivated semiconductor/organic interface would enable a wide variety of applications …
Identifying atomic geometry and electronic structure of (2× 3)-Sr/Si (100) surface and its initial oxidation
We present a joint experimental and theoretical study on the geometric and electronic states
and the initial oxidation of the (2× 3)-Sr/Si (100) surface. With scanning tunneling …
and the initial oxidation of the (2× 3)-Sr/Si (100) surface. With scanning tunneling …
Fundamental steps towards interface amorphization during silicon oxidation: Density functional theory calculations
Density functional theory calculations reveal a two-step scenario for silicon oxidation
nucleation. We detail a quasibarrierless semihexagonal oxide nucleus, involving an …
nucleation. We detail a quasibarrierless semihexagonal oxide nucleus, involving an …