Over the last three decades reactions of organic and organometallic compounds on silicon
surfaces have been of great interest. This interest has been fueled by potential applications …

As an alternative to standard silicon biofunctionalization protocol based on alkoxysilanes
that bind to SiO2 on oxidized silicon substrates, several protocols to form bifunctional …

On H− Si (111), monolayer assembly with 1-alkenes results in alkyl monolayers with a Si−
C− C linkage to the silicon substrate, while 1-alkynes yield alkenyl monolayers with a Si …

Surface passivation has enabled the development of silicon-based solar cells and
microelectronics. However, a number of emerging applications require a paradigm shift from …

In this work, we developed Si/C/H ReaxFF force field for the study of the functionalization
and decomposition of alkyl monolayers on silicon surface. The parameterization was …

Combining photochromism and nonlinear optical (NLO) properties of molecular switches-
functionalized self-assembled monolayers (SAMs) represents a promising concept toward …

Recently, a new method for the preparation of high-quality organic monolayers with 1-
alkynes at room temperature in the dark (ie, without any external activation) was reported. To …

An alternative approach for hydrogenation of silicene is proposed through applying an
external electric field in order to reduce the reaction energy barrier based on density …

Surface passivation of semiconductor nanocrystals (NCs) is critical in enabling their
utilization in novel optoelectronic devices, solar cells, and biological and chemical sensors …

The binding structures and diffusion pathways of molecular oxygen on a defective TiO2
(110) surface are studied by means of a recently developed first‐principles string molecular …