▪ Abstract With the rapidly changing materials needs of modern microelectronics, germanium
provides an opportunity for future-generation devices. Controlling germanium interfaces will …

Density functional cluster model calculations have been performed to explore the reaction
mechanism for the adsorption of ethylene on Si (100). It is shown that the [2+ 2] …

Differences in adsorption and reaction energetics for ethylene on Si (001) are reported with
respect to distorted dangling‐bond configurations induced by hydrogen precoverage, as …

Intermediate states to covalent attachment of molecules on surfaces, so called precursors,
are usually considered to be physisorbed and mobile. We show that this view should be …

The adsorption of acetylene, ethylene, and benzene on the Si (001) and Ge (001) surfaces
is investigated by first-principles density-functional calculations within the generalized …

The interaction between small unsaturated hydrocarbon molecules of C 2 H 4 with a vicinal
silicon (001) surface is studied by means of reflectance anisotropy spectroscopy and …

Using a first-principles pseudopotential technique, we have investigated the adsorption of
CH3OH on the Si (001) surface. We have found that, in agreement with the overall …

Adsorption of H 2, C 2 H 2, C 2 H 4, and CO onto a Si (100)-(2× 1) surface has been treated
theoretically using Si 12n− 3 H 8n+ 4 (n= 1–4) clusters. The energy density analysis (EDA) …

We have investigated the chiral adsorption configurations of styrene on Ge (100) using
scanning tunneling microscopy at 300 K. The chemisorbed styrene on a single Ge dimer …

In this paper we report on a comparative ab initio study of the adsorption of ethylene,
cyclopentene and 1-amino-3-cyclopentene on the silicon surface. Accurate calculations of …