A new idea is brought in this paper that molecular dynamics with a force field integrated a brand new reactive potential form which considered bond breaking and forming can be used to simulate chemical reaction. As an example, we report here a force field CRACK developed for studying pyrolysis process of n-alkane. CRACK splines together a harmonic well and a shallow Lennard-Jones well: the harm...

A magnetic-field-driven transition from metallicto semiconducting-type behavior in the basal-plane resistance takes place in highly oriented pyrolytic graphite at a field Hc ∼ 1 kOe applied along the hexagonal c-axis. The analysis of the data reveals a striking similarity between this transition and that measured in thinfilm superconductors and Si MOSFET’s. However, in contrast to those materia...

We present a comparison of models describing the pyrolytic deposition of SiO2 with a low pressure chemical vapor deposition process. In order to meet industrial simulation requirements, e.g. accuracy and fast delivery of results, we present an overview of established and new models, their use within TCAD applications, and their best results which have been obtained by calibrations according to ...

Mono-molecular films formed by physical adsorption and dendrimer self-assembly were prepared on various substrate surfaces. It was demonstrated that a uniform dendrimer-based monolayer on the subnanometer scale can be easily constructed via simple dip coating. Furthermore, it was shown that an epitaxially grown monolayer film reflecting the crystal structure of the substrate (highly ordered pyr...

Electrogenerated chemiluminescence (ECL) can be obtained from an electrochemically oxidized highly oriented pyrolytic graphite electrode or a graphene oxide suspension in an aqueous solution containing 0.1 M NaClO(4), phosphate buffer (PBS) (pH = 7.0) and 13 mM tri-n-propylamine. Single ECL events from individual graphene oxide nanosheets can be observed. The observation of ECL in such systems ...