Tuning the Electronic Structure of Graphene through Collective Electrostatic Effects

Electrostatically designing materials opens a new avenue for realizing systems with user‐defined electronic properties. Here, an approach is presented for efficiently patterning the electronic structure of layered systems such as graphene by means of collective electrostatic effects. Using density‐functional theory simulations, it is found that lines of polar elements can strongly modify the energy landscape of this prototypical 2D material. This results in a confinement of electronic states in specific regions of the sample and, consequently, in a local energetic shift of the density of states. The latter is also directly reflected in the details of the band structure of the electrostatically patterned sample. Finally, it is shown that the approach can also be successfully applied to other 2D materials such as hexagonal boron nitride, where the effects are predicted to be even more pronounced than in graphene.     

Analysis of time-series MODIS 250 m vegetation index data for crop classification in the U.S. Central Great Plains

The global environmental change research community requires improved and up-to-date land use/land cover (LULC) datasets at regional to global scales to support a variety of science and policy applications. Considerable strides have been made to improve large-area LULC datasets, but little emphasis has been placed on thematically detailed crop mapping, despite the considerable influence of management activities in the cropland sector on various environmental processes and the economy. Time-series MODIS 250 m Vegetation Index (VI) datasets hold considerable promise for large-area crop mapping in an agriculturally intensive region such as the U.S. Central Great Plains, given their global coverage, intermediate spatial resolution, high temporal resolution (16-day composite period), and cost-free status. However, the specific spectral-temporal information contained in these data has yet to be thoroughly explored and their applicability for large-area crop-related LULC classification is relatively unknown. The objective of this research was to investigate the general applicability of the time-series MODIS 250 m Enhanced Vegetation Index (EVI) and Normalized Difference Vegetation Index (NDVI) datasets for crop-related LULC classification in this region. A combination of graphical and statistical analyses were performed on a 12-month time-series of MODIS EVI and NDVI data from more than 2000 cropped field sites across the U.S. state of Kansas. Both MODIS VI datasets were found to have sufficient spatial, spectral, and temporal resolutions to detect unique multi-temporal signatures for each of the region's major crop types (alfalfa, corn, sorghum, soybeans, and winter wheat) and management practices (double crop, fallow, and irrigation). Each crop's multi-temporal VI signature was consistent with its general phenological characteristics and most crop classes were spectrally separable at some point during the growing season. Regional intra-class VI signature variations were found for some crops across Kansas that reflected the state's climate and planting time differences. The multi-temporal EVI and NDVI data tracked similar seasonal responses for all crops and were highly correlated across the growing season. However, differences between EVI and NDVI responses were most pronounced during the senescence phase of the growing season.     

Stretching and breaking of a molecular junction

Density functional theory (DFT) calculations based on band structure are used to investigate the electromechanical properties of a molecular junction consisting of a dithiolbenzene molecule sandwiched between two gold slabs. This represents a prototypical system for the field of molecular electronics; such a system has previously been studied in break-junction measurements and electron-transport calculations. The stretching and breaking behavior of the junction is analyzed for different geometric conformations, and it is found that the breakage occurs through dissociation of one of the sulfur-gold bonds with a maximum force of 1.25 nN. The molecular electronic states shift during stretching, and, at the point of highest stress in the junction, the highest occupied molecular orbital (HOMO) of the molecule is located exactly at the Fermi level.     

Magnetron-sputtered cobalt-based protective coatings on ferritic steels for solid oxide fuel cell interconnect applications

Co, Co–Mn (67:33 at.%) and Co–Cu (67:33 at.%) coatings were fabricated using magnetron sputtering on two kinds of ferritic stainless steels (Crofer22APU and F17TNb) in order to form spinel protective coatings on metallic interconnects for solid oxide fuel cells. Despite the thickness unevenness at different regions, dense metallic coatings were successfully applied onto all necessary surfaces of the channelled interconnect substrates. Upon oxidation, spinel oxide coatings with very low Cr content were formed, reducing effectively the Cr release. Among the three protective coatings, Co–Cu coating showed the lowest area specific resistance (<15 mΩ cm² at 800 °C).     

A particularly strong organic acceptor for tuning the hole-injection barriers in modern organic devices

A better understanding of metal-organic interfaces combined with means to control their properties is crucial for the further improvement of organic (opto)electronic devices. In this context, the use of organic acceptors is an efficient tool to modify metal work functions and hole-injection barriers, which has the potential to considerably improve the performance of organic devices. Here, we use density functional theory based calculations to discuss a particularly potent acceptor suitable for that purpose, 3,5-difluoro-2,5,7,7,8,8-hexacyanoquinodimethane (F2HCNQ), which clearly outperforms the frequently applied and in the meantime prototypical system 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ). Comparative calculations for a single monolayer of the two molecules adsorbed on an Ag(1 1 1) surface reveal that (i) the work-function increase induced by F2HCNQ is more than 20% higher than for F4TCNQ and that (ii) at the same time the adsorption energy basically is unaffected, while (iii) the electronic structure is slightly modified. In the end of the day, F2HCNQ is a highly promising candidate for applications in organic devices.     

How indirect supportive digital help during and after solving physics problems can improve problem-solving abilities

This study investigates the effectiveness of computer-delivered hints in relation to problem-solving abilities in two alternative indirect instruction schemes. In one instruction scheme, hints are available to students immediately after they are given a new problem to solve as well as after they have completed the problem. In the other scheme, hints are only available as worked out problems after students have finished their solution. The instruction schemes are supplied by means of a web-based program, Physhint, which supports the development of strategic knowledge [Pol, H. J., Harskamp, E. G., & Suhre, C. J. M. (2008). The effect of the timing of instructional support in a computer-supported problem-solving program for students in secondary physics education. Computers in Human Behavior, 24, 1156–1178]. This program supports novice problem solvers while undertaking physics problems concerned with forces by providing hints structured in accordance with Schoenfeld’s episodes [Schoenfeld, A. H. (1992). Learning to think mathematically: Problem solving, metacognition, and sense making in mathematics. In D. A. Grouws (Ed.), Handbook of research on mathematics teaching (pp. 224–270). New York: McMillan Publishing].     

Measurement of the detective quantum efficiency (DQE) of digital X-ray detectors according to the novel standard IEC 62220-1

A mobile measurement facility which complies with IEC 62220-1 has been set up to determine the detective quantum efficiency (DQE) of digital X-ray detector systems. Exemplary measurements were performed for two similar CR detector systems, a CsI-based indirect detector and an Se-based direct detector. The standardised radiation quality RQA 5 was applied for measurement and for three of these systems RQA 9 was also applied. A pronounced dependence of DQE on radiation quality was observed for the direct detector, where the DQEs for RQA 5 and RQA 9 differ by a factor of approximately 2. The uncertainty (95% confidence interval) associated with the measured DQE values is within 0.01 and 0.04 depending on, for example, the spatial frequency. Thus, it has been demonstrated that the DQE can be measured accurately and reliably with the accuracy required by the international standard IEC 62220-1. It is now possible to objectively measure and compare DQE values of digital X-ray detector systems.