First-Principles Calculations of Optoelectronic and Transport Properties of Materials for Energy Applications.

Modern semiconductor technology and nanoengineering techniques enable rapid development of new materials for energy applications such as photovoltaics, solid- state lighting, and thermoelectric devices. Yet as materials engineering capabilities become increasingly refined, the space of controllable properties becomes increasingly large and complex. Selecting the most promising materials and parameters to focus on represents a significant challenge. We approach this challenge by applying state-of-the-art predictive first-principles calculation methods to guide research and development of materials for energy applications. This work describes our first-principles investigations of nanostructured group-III-nitrides for solid-state lighting applications and bulk titanium dioxides for thermoelectric applications. We demonstrate several remarkable properties of nanostructured group-III-nitrides. In InN nanowires with diameters on the order of 1 nm, we predict that quantum confinement shifts optical emission into the visible range at 2.3 to 2.5 eV (green to cyan) and results in a large exciton binding energy of 1.4 eV. These findings offer a new approach to addressing the ”green-gap” problem of low efficiency in solid-state lighting devices emitting in this part of the spectrum. In ultra-thin GaN-AlN quantum wells, we show how to adjust the well and barrier thicknesses for tuning the optical gap in the deep ultraviolet range between 3.85 and 5.23 eV. Furthermore, we predict that quantum confinement in ultra-thin GaN wells results in large exciton binding energies between 80 and 210 meV and enhances radiative recombination by reducing the exciton lifetime to as short as approximately 1 ns at room temperature. These findings highlight the capability of quantum-confined group-III-nitrides to improve the efficiency and utility of visible and ultraviolet solid-state light emitters. Additionally, we calculate the n-type thermoelectric transport properties of the naturally occurring rutile, anatase, and brookite polymorphs of TiO2 and predict optimal temperatures and free-carrier concentrations for thermoelectric energy conversion. We also predict a theoretical limit on the figure of merit ZT of 0.93 in the rutile polymorph, demonstrating that TiO2 can potentially achieve thermoelectric energy conversion efficiency comparable to that of commercialized thermoelectrics.PhDMaterials Science and EngineeringUniversity of Michigan, Horace H. Rackham School of Graduate Studieshttp://deepblue.lib.umich.edu/bitstream/2027.42/116701/1/bayerl_1.pd

Continuous Centrifuge Decelerator for Polar Molecules

Producing large samples of slow molecules from thermal-velocity ensembles is a formidable challenge. Here we employ a centrifugal force to produce a continuous molecular beam with a high flux at near-zero velocities. We demonstrate deceleration of three electrically guided molecular species, CH$_3$F, CF$_3$H, and CF$_3$CCH, with input velocities of up to $200\,\rm{m\,s^{-1}}$ to obtain beams with velocities below $15\,\rm{m\,s^{-1}}$ and intensities of several $10^9\,\rm{mm^{-2}\,s^{-1}}$. The centrifuge decelerator is easy to operate and can, in principle, slow down any guidable particle. It has the potential to become a standard technique for continuous deceleration of molecules.Comment: 5 pages, 4 figures; version accepted for publication in PR

Electrostatic extraction of cold molecules from a cryogenic reservoir

We present a method which delivers a continuous, high-density beam of slow and internally cold polar molecules. In our source, warm molecules are first cooled by collisions with a cryogenic helium buffer gas. Cold molecules are then extracted by means of an electrostatic quadrupole guide. For ND$_3$ the source produces fluxes up to $(7 \pm ^{7}_{4}) \times 10^{10}$ molecules/s with peak densities up to $(1.0 \pm ^{1.0}_{0.6}) \times 10^9$ molecules/cm$^3$. For H$_2$CO the population of rovibrational states is monitored by depletion spectroscopy, resulting in single-state populations up to $(82 \pm 10)$.Comment: 4 pages, 4 figures, changes to the text, updated figures and reference

Contacting a single nanometer-sized pinhole in the interfacial oxide of a poly-silicon on oxide (POLO) solar cell junction

The electrical current through poly-Si on oxide (POLO) solar cells is mediated by tunneling and by nanometer-sized pinholes in the interfacial oxide. To distinguish the two processes, a POLO junction with a measured pinhole density of 1 × 107 cm−2 is contacted by different contact areas ranging from 1 μm2 to 2.5 × 105 μm2, and the temperature-dependent current–voltage curves are measured for the different devices. Model regressions to the measured curves, their temperature dependence, and the quantized value of contact resistances indicate average numbers of pinholes per device corresponding to the expected pinhole density. For the small contacts, the different transport processes can be studied separately, which facilitates further improvements in respect to the present-day POLO junctions. Single-pinhole transport is found for one of the contacts with an area of 1 μm2. Random telegraph noise observed for this device in the current–voltage characteristics shows a high sensitivity to single charges

Hypoactivation of CRF receptors, predominantly type 2, in the medial-posterior BNST is vital for adequate maternal behavior in lactating rats

Maternal behavior ensures the proper development of the offspring. In lactating mammals, maternal behavior is impaired by stress, the physiological consequence of central corticotropin-releasing factor receptor (CRF-R) activation. However, which CRF-R subtype in which specific brain area(s) mediates this effect is unknown. Here we confirmed that an intracerebroventricularly injected nonselective CRF-R antagonist enhances, whereas an agonist impairs, maternal care. The agonist also prolonged the stress-induced decrease in nursing, reduced maternal aggression and increased anxiety-related behavior. Focusing on the bed nucleus of the stria terminalis (BNST), CRF-R1 and CRF-R2 mRNA expression did not differ in virgin versus lactating rats. However, CRF-R2 mRNA was more abundant in the posterior than in the medial BNST. Pharmacological manipulations within the medial-posterior BNST showed that both CRF-R1 and CRF-R2 agonists reduced arched back nursing (ABN) rapidly and after a delay, respectively. After stress, both antagonists prevented the stress-induced decrease in nursing, with the CRF-R2 antagonist actually increasing ABN. During the maternal defense test, maternal aggression was abolished by the CRF-R2, but not the CRF-R1, agonist. Anxiety-related behavior was increased by the CRF-R1 agonist and reduced by both antagonists. Both antagonists were also effective in virgin females but not in males, revealing a sexual dimorphism in the regulation of anxiety within the medial-posterior BNST. In conclusion, the detrimental effects of increased CRF-R activation on maternal behavior are mediated via CRF-R2 and, to a lesser extent, via CRF-R1 in the medial-posterior BNST in lactating rats. Moreover, both CRF-R1 and CRF-R2 regulate anxiety in females independently of their reproductive status

Storage and Adiabatic Cooling of Polar Molecules in a Microstructured Trap

We present a versatile electric trap for the exploration of a wide range of quantum phenomena in the interaction between polar molecules. The trap combines tunable fields, homogeneous over most of the trap volume, with steep gradient fields at the trap boundary. An initial sample of up to 10^8 CH3F molecules is trapped for as long as 60 seconds, with a 1/e storage time of 12 seconds. Adiabatic cooling down to 120 mK is achieved by slowly expanding the trap volume. The trap combines all ingredients for opto-electrical cooling, which, together with the extraordinarily long storage times, brings field-controlled quantum-mechanical collision and reaction experiments within reach

Revenge by photoshop: Memefying police acts in the public dialogue about injustice

In this article, we are interested in the role digital memes in the form of pictures play in the framing of public discourses about police injustice and what it is that makes memes successful in this process. For this purpose, we narrate the story of one such meme: the ‘pepper-spray cop’. In our analysis, we link the creation and spread of the meme to the democratization of online activism and the subversive acts of hierarchical sousveillance. Based on our findings, we discuss features of the meme and the process linked to its initiation, rapid spread and disappearance as vital for the success of visual memes in the context of online protests

Intense Atomic and Molecular Beams via Neon Buffer Gas Cooling

We realize a continuous guided beam of cold deuterated ammonia with a flux of 3e11 ND3 molecules/s and a continuous free-space beam of cold potassium with a flux of 1e16 K atoms/s. A novel feature of the buffer gas source used to produce these beams is cold neon, which, due to intermediate Knudsen number beam dynamics, produces a forward velocity and low-energy tail that is comparable to much colder helium-based sources. We expect this source to be trivially generalizable to a very wide range of atomic and molecular species with significant vapor pressure below 1000 K. This source has properties that make it a good starting point for laser cooling of molecules or atoms, cold collision studies, trapping, or nonlinear optics in buffer-gas-cooled atomic or molecular gases.Comment: 15 pages, 6 figure

Genetic and genomic monitoring with minimally invasive sampling methods

Funding: Marie Slodowska Curie Fellowship, (Behaviour-Connect) funded by the EU Horizon2020 program (ELC).The decreasing cost and increasing scope and power of emerging genomic technologies are reshaping the field of molecular ecology. However, many modern genomic approaches (e.g., RAD-seq) require large amounts of high quality template DNA. This poses a problem for an active branch of conservation biology: genetic monitoring using minimally invasive sampling (MIS) methods. Without handling or even observing an animal, MIS methods (e.g. collection of hair, skin, faeces) can provide genetic information on individuals or populations. Such samples typically yield low quality and/or quantities of DNA, restricting the type of molecular methods that can be used. Despite this limitation, genetic monitoring using MIS is an effective tool for estimating population demographic parameters and monitoring genetic diversity in natural populations. Genetic monitoring is likely to become more important in the future as many natural populations are undergoing anthropogenically-driven declines, which are unlikely to abate without intensive adaptive management efforts that often include MIS approaches. Here we profile the expanding suite of genomic methods and platforms compatible with producing genotypes from MIS, considering factors such as development costs and error rates. We evaluate how powerful new approaches will enhance our ability to investigate questions typically answered using genetic monitoring, such as estimating abundance, genetic structure and relatedness. As the field is in a period of unusually rapid transition, we also highlight the importance of legacy datasets and recommend how to address the challenges of moving between traditional and next generation genetic monitoring platforms. Finally, we consider how genetic monitoring could move beyond genotypes in the future. For example, assessing microbiomes or epigenetic markers could provide a greater understanding of the relationship between individuals and their environment.Publisher PDFPeer reviewe

Action Recognition with a Bio--Inspired Feedforward Motion Processing Model: The Richness of Center-Surround Interactions

International audienceHere we show that reproducing the functional properties of MT cells with various center--surround interactions enriches motion representation and improves the action recognition performance. To do so, we propose a simplified bio--inspired model of the motion pathway in primates: It is a feedforward model restricted to V1-MT cortical layers, cortical cells cover the visual space with a foveated structure, and more importantly, we reproduce some of the richness of center-surround interactions of MT cells. Interestingly, as observed in neurophysiology, our MT cells not only behave like simple velocity detectors, but also respond to several kinds of motion contrasts. Results show that this diversity of motion representation at the MT level is a major advantage for an action recognition task. Defining motion maps as our feature vectors, we used a standard classification method on the Weizmann database: We obtained an average recognition rate of 98.9%, which is superior to the recent results by Jhuang et al. (2007). These promising results encourage us to further develop bio--inspired models incorporating other brain mechanisms and cortical layers in order to deal with more complex videos