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

Nonthermal fragmentation of C60

A theoretical study of the subpicosecond fragmentation of C60 clusters in response to ultrafast laser pulses is presented. We simulate the laser excitation and the consequent nonequilibrium relaxation dynamics of the electronic and nuclear degrees of freedom. The first stages of the nonequilibrium dynamics are dominated by a coherent breathing mode followed by the cold ejection of single C atoms, in contrast to the dimer emission which characterizes the thermal relaxation. We also determine the nonequilibrium damage thresholds as a function of the pulse duration.Comment: 5 pages, 4 figures, submitted to Chem. Phys. Let

Electronic properties of Fabre charge-transfer salts under various temperature and pressure conditions

Using density functional theory, we determine parameters of tight-binding Hamiltonians for a variety of Fabre charge transfer salts, focusing in particular on the effects of temperature and pressure. Besides relying on previously published crystal structures, we experimentally determine two new sets of structures; (TMTTF)$_2$SbF$_6$ at different temperatures and (TMTTF)$_2$PF$_6$ at various pressures. We find that a few trends in the electronic behavior can be connected to the complex phase diagram shown by these materials. Decreasing temperature and increasing pressure cause the systems to become more two-dimensional. We analyze the importance of correlations by considering an extended Hubbard model parameterized using Wannier orbital overlaps and show that while charge order is strongly activated by the inter-site Coulomb interaction, the magnetic order is only weakly enhanced. Both orders are suppressed when the effective pressure is increased.Comment: 12 pages, 16 figure

Increasing understanding of alien species through citizen science (Alien-CSI)

There is no sign of saturation in accumulation of alien species (AS) introductions worldwide, additionally the rate of spread for some species has also been shown to be increasing. However, the challenges of gathering information on AS are recognized. Recent developments in citizen science (CS) provide an opportunity to improve data flow and knowledge on AS while ensuring effective and high quality societal engagement with the issue of IAS (Invasive Alien Species). Advances in technology, particularly on-line recording and smartphone apps, along with the development of social media, have revolutionized CS and increased connectivity while new and innovative analysis techniques are emerging to ensure appropriate management, visualization, interpretation and use and sharing of the data. In early July 2018 we launched a European CO-operation in Science and Technology (COST) Action to address multidisciplinary research questions in relation to developing and implementing CS, advancing scientific understanding of AS dynamics while informing decision-making specifically implementation of technical requirements of relevant legislation such as the EU Regulation 1143/2014 on IAS. It will also support the EU biodiversity goals and embedding science within society. The Action will explore and document approaches to establishing a European-wide CS AS network. It will embrace relevant innovations for data gathering and reporting to support the implementation of monitoring and surveillance measures, while ensuring benefits for society and citizens, through an AS CS European network. The Action will, therefore, increase levels of participation and quality of engagement with current CS initiatives, ensuring and evaluating educational value, and improve the value outcomes for potential users including citizens, scientists, alien species managers, policy-makers, local authorities, industry and other stakeholders

Oxidative stress stimulates alpha-tocopherol transfer protein in human trophoblast tumor cells BeWo

alpha-Tocopherol transfer protein (alpha-TTP) has been identified as the major intracellular transport protein for the antioxidant vitamin E (alpha-Tocopherol). Expression of alpha-TTP on the reproductive system has been described both in mouse uterus and lately in the human placenta. The aim of this study was to clarify if placental expression of alpha-TTP can be modified by substances causing oxidative reactions. The human choriocarcinoma cell line BeWo was, therefore, treated with two known pro-oxidants. alpha-TTP expression was determined with immunocytochemistry and evaluated by applying a semiquantitative score. The presence of pro-oxidants in BeWo cells induced alpha-TTP expression. We thus hypothesize that stimulation of alpha-TTP expression by oxidative stress, as this was induced by pro-oxidants, could be part of an antioxidant process occurring in the placenta in the aim of enhancing the supply of alpha-Tocopherol. This process could occur both in normal pregnancies, as well as in pregnancy disorders presented with intensified oxidative stress. In that view, this model is proposed for further oxidative stress studies on trophoblast and placenta, on the grounds of clarifying the role of alpha-Tocopherol in pregnancy physiology and pathophysiology

No saturation in the accumulation of alien species worldwide

Although research on human-mediated exchanges of species has substantially intensified during the last centuries, we know surprisingly little about temporal dynamics of alien species accumulations across regions and taxa. Using a novel database of 45,813 first records of 16,926 established alien species, we show that the annual rate of first records worldwide has increased during the last 200 years, with 37% of all first records reported most recently (1970–2014). Inter-continental and inter-taxonomic variation can be largely attributed to the diaspora of European settlers in the nineteenth century and to the acceleration in trade in the twentieth century. For all taxonomic groups, the increase in numbers of alien species does not show any sign of saturation and most taxa even show increases in the rate of first records over time. This highlights that past efforts to mitigate invasions have not been effective enough to keep up with increasing globalization

Framework and guidelines for implementing the proposed IUCN Environmental Impact Classification for Alien Taxa (EICAT)

Recently, Blackburn et al. (2014) developed a simple, objective and transparent method for classifying alien taxa in terms of the magnitude of their detrimental environmental impacts in recipient areas. Here, we present a comprehensive framework and guidelines for implementing this method, which we term the Environmental Impact Classification for Alien Taxa, or EICAT. We detail criteria for applying the EICAT scheme in a consistent and comparable fashion, prescribe the supporting information that should be supplied along with classifications, and describe the process for implementing the method. This comment aims to draw the attention of interested parties to the framework and guidelines, and to present them in their entirety in a location where they are freely accessible to any potential users

Theory for the ultrafast ablation of graphite films

The physical mechanisms for damage formation in graphite films induced by femtosecond laser pulses are analyzed using a microscopic electronic theory. We describe the nonequilibrium dynamics of electrons and lattice by performing molecular dynamics simulations on time-dependent potential energy surfaces. We show that graphite has the unique property of exhibiting two distinct laser induced structural instabilities. For high absorbed energies (> 3.3 eV/atom) we find nonequilibrium melting followed by fast evaporation. For low intensities above the damage threshold (> 2.0 eV/atom) ablation occurs via removal of intact graphite sheets.Comment: 5 pages RevTeX, 3 PostScript figures, submitted to Phys. Re

Dark Photocatalysis: Storage of Solar Energy in Carbon Nitride for Time-Delayed Hydrogen Generation

While natural photosynthesis serves as the model system for efficient charge separation and decoupling of redox reactions, bio-inspired artificial systems typically lack applicability owing to synthetic challenges and structural complexity. We present herein a simple and inexpensive system that, under solar irradiation, forms highly reductive radicals in the presence of an electron donor, with lifetimes exceeding the diurnal cycle. This radical species is formed within a cyanamide-functionalized polymeric network of heptazine units and can give off its trapped electrons in the dark to yield H$_{2}$ , triggered by a co-catalyst, thus enabling the temporal decoupling of the light and dark reactions of photocatalytic hydrogen production through the radical's longevity. The system introduced here thus demonstrates a new approach for storing sunlight as long-lived radicals, and provides the structural basis for designing photocatalysts with long-lived photo-induced states.This work was supported by the Deutsche Forschungsgemeinschaft (project LO1801/1-1) and an ERC Starting Grant (B.V.L., grant number 639233), the Max Planck Society, the cluster of excellence Nanosystems Initiative Munich (NIM), and the Center for Nanoscience (CeNS). We acknowledge support by the Christian Doppler Research Association (Austrian Federal Ministry of Science, Research and Economy, National Foundation for Research, Technology and Development) and the OMV Group (H.K., E.R.). V.W.-h.L. gratefully acknowledges a postdoctoral scholarship from the Max Planck Society