Dynamics and fragmentation mechanism of (CH3-C5H4)Pt(CH3)3 on SiO2 Surfaces

The interaction of (CH3-C5H4)Pt(CH3)3 ((methylcyclopentadienyl)trimethylplatinum)) molecules on fully and partially hydroxylated SiO2 surfaces, as well as the dynamics of this interaction were investigated using density functional theory (DFT) and finite temperature DFT-based molecular dynamics simulations. Fully and partially hydroxylated surfaces represent substrates before and after electron beam treatment and this study examines the role of electron beam pretreatment on the substrates in the initial stages of precursor dissociation and formation of Pt deposits. Our simulations show that on fully hydroxylated surfaces or untreated surfaces, the precursor molecules remain inactivated while we observe fragmentation of (CH3-C5H4)Pt(CH3)3 on partially hydroxylated surfaces. The behavior of precursor molecules on the partially hydroxylated surfaces has been found to depend on the initial orientation of the molecule and the distribution of surface active sites. Based on the observations from the simulations and available experiments, we discuss possible dissociation channels of the precursor.Comment: 18 Pages, 5 Figure

A citation-based map of concepts in invasion biology

Invasion biology has been quickly expanding in the last decades so that it is now metaphorically flooded with publications, concepts, and hypotheses. Among experts, there is no clear consensus about the relationships between invasion concepts, and almost no one seems to have a good overview of the literature anymore. Similar observations can be made for other research fields. Science needs new navigation tools so that researchers within and outside of a research field as well as science journalists, students, teachers, practitioners, policy-makers, and others interested in the field can more easily understand its key ideas. Such navigation tools could, for example, be maps of the major concepts and hypotheses of a research field. Applying a bibliometric method, we created such maps for invasion biology. We analysed research papers of the last two decades citing at least two of 35 common invasion hypotheses. Co-citation analysis yields four distinct clusters of hypotheses. These clusters can describe the main directions in invasion biology and explain basic driving forces behind biological invasions. The method we outline here for invasion biology can be easily applied for other research fields

Time-dependent energy absorption changes during ultrafast lattice deformation

The ultrafast time-dependence of the energy absorption of covalent solids upon excitation with femtosecond laser pulses is theoretically analyzed. We use a microscopic theory to describe laser induced structural changes and their influence on the electronic properties. We show that from the time evolution of the energy absorbed by the system important information on the electronic and atomic structure during ultrafast phase transitions can be gained. Our results reflect how structural changes affect the capability of the system to absorb external energy.Comment: 7 pages RevTeX, 8 ps figures, submitted to Journal of Appl. Physic