相关论文: Dangling bonds on the Cl- and Br-terminated Si(100…
The effects of oxygen adsorption on the reflectance anisotropy spectrum (RAS) of reconstructed Si(100):O surfaces at sub-monolayer coverage (first stages of oxidation) have been studied by an ab initio DFT-LDA scheme within a plane-wave,…
Using a non-contact atomic force microscope (nc-AFM), we examine continuous DB wire structures on the hydrogen-terminated silicon (100) 2x1 surface. By probing the DB structures at varying energies, we identify the formation of previously…
The formation of a hydroxylated native oxide layer on Si(001) under wet conditions is studied by means of first principles molecular dynamics simulations. Water molecules are found to adsorb and dissociate on the oxidised surface leading to…
We show that thermally evaporated lead (Pb) preserves the electronic properties of organic monolayers on Si and the surface passivation of the Si surface itself. The obtained current-voltage characteristics are in accordance with results…
In this master thesis, diamond-like carbon DLC/Cr bilayer systems, with thickness up to 1278 nm were formed on ABS, glass and Si substrates. Substrates surface were prepared by oxygen plasma cleaning process. The chromium thin film, which…
The electronic structure of Si(110)"16 x 2" double-domain, single-domain and 1 x 1 surfaces have been investigated using spin- and angle-resolved photoemission at sample temperatures of 77 K and 300 K. Angle-resolved photoemission was…
The creation of magnetism on non-magnetic semiconductor surfaces is of importance for the realization of spintronics devices. Especially, the coupling of electron spins within quantum nanostructures can be utilized for nanomagnetism…
Structural properties of the clean Si(001) surface obtained as a result of low-temperature (470--650C) pre-growth annealings of silicon wafers in a molecular-beam epitaxy chamber have been investigated. To decrease the cleaning temperature,…
Single-crystal silicon wafers were hyperdoped respectively by sulfur, selenium, and tellurium element using ion implantation and nanosecond laser melting. The hyperdoping of such chalcogen elements endowed the treated silicon with a strong…
This paper reports state-of-the-art electronic structure calculations of La adsorption on the Si(001) surface. We predict La chains in the low coverage limit, which condense in a stable phase at a coverage of 1/5 monolayer. At 1/3 monolayer…
We investigate the influence of slab thickness on the electronic structure of the Si(100)-p(2x2) surface in density functional theory (DFT) calculations, considering both density of states and band structure. Our calculations, with slab…
New advances in single-atom manipulation are leading to the creation of atomic structures on H passivated Si surfaces with functionalities important for the development of atomic and molecular based technologies. We perform total-energy and…
The dissociation of hydrogen molecules on the \gamma-U(100) surface is systematically studied with the density functional theory method. Through potential energy surface calculations, we find that hydrogen molecules can dissociate without…
Silanization bases on the adsorption, selfassembly and covalent binding of silane molecules onto surfaces, resulting in a densely packed self-assembled monolayer (SAM). Following standard recipes, however, the quality of the monolayer is…
Scanning tunneling microscopy images of hydrogen-terminated Si(110) surfaces are studied using first-principles calculations. Our results show that the calculated filled-state images and local density of states are consistent with recent…
We simulate the liquid silicon surface with first-principles molecular dynamics in a slab geometry. We find that the atom-density profile presents a pronounced layering, similar to those observed in low-temperature liquid metals like Ga and…
We have used scanning tunneling microscopy to identify individual phosphorus dopant atoms near the clean silicon (100)-(2x1) reconstructed surface. The charge-induced band bending signature associated with the dopants shows up as an…
We present results of experiments to reproduce the bottom-up formation of covalently bonded molecular nanostructures from single molecular building blocks, previously demonstrated on various coinage metal surfaces, on a technologically more…
The breaking of a chemical bond is fundamental in most chemical reactions. To understand chemical processes in heterogeneous catalysis or on-surface polymerization the study of bond dissociation in molecules adsorbed on crystalline surfaces…
Self-assembled monolayers (SAMs) of organic molecules are widely employed in surface chemistry and biology, and serve as ultra-fine lithographic resists. Due to their small thickness of only a few nanometers, the analysis of patterned…