Laser-Induced Graphene Composites for Printed, Stretchable, and Wearable Electronics
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Materials Science↗
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Exploring the Photogenerated Charge Transfer Mechanism in Cu 2 O@MoS 2 Heterojunction Photocatalyst Using Transient Absorption Spectroscopy
Both heterojunction and core–shell photocatalysts have demonstrated promising performance in photocatalytic CO 2 conversions to fuels. However, fundamental knowledge of heterojunctions in core–shell structures is highly desired to facilitate the design of future photocatalysts. By combining advanced experimental characterizations and density functional theory (DFT) calculations, the role of the Cu 2 O@MoS 2 heterojunction in photocatalytic CO 2 conversions to fuels was investigated. We discovered that the charge dynamics and electron transfer properties of Cu2O@MoS 2 photocatalysts are altered by the heterojunction and Cu 2 O underlayer due to the electron transfer from Cu 2 O to MoS 2 and the change in CO 2 adsorption strength on the hybrid catalyst surface. Consequently, more electrons can travel to the surrounding liquid environment to be consumed by CO 2 reduction. This study provides experimental and theoretical investigations of the fundamental mechanisms of heterojunction core–shell photocatalysts.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Nano-imprint gold grating as refractive index sensor
Large scale of fabrication of plasmonic nanostructures has been a challenging task due to time consuming process and requirement of expensive nanofabrication tools such as electron beam lithography system, focused ion beam system, and extreme UV photolithography system. Here, we present a cost-effective fabrication technique so called soft nanoimprinting to fabricate nanostructures on the larger sample area. In our fabrication process, a commercially available optical DVD disc was used as a template which was imprinted on a polymer glass substrate to prepare 1D polymer nano-grating. A homemade nanoimprinting setup was used in this fabrication process. Further, a label-free refractive index sensor was developed by utilizing the properties of surface plasmon resonance (SPR) of a gold coated 1D polymer nano-grating. Refractive index sensing was tested by exposing different solutions of glycerol-water mixture on the surface of gold nano-grating. The calculated bulk refractive index sensitivity was found to be 751nm/RIU. We believed that our proposed SPR sensor could be a promising candidate for developing low-cost refractive index sensor with high sensitivity on a large scale.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Controlled cooling of an electronic system for reduced energy consumption
Energy efficient control of a cooling system cooling an electronic system is provided. The control includes automatically determining at least one adjusted control setting for at least one adjustable cooling component of a cooling system cooling the electronic system. The automatically determining is based, at least in part, on power being consumed by the cooling system and temperature of a heat sink to which heat extracted by the cooling system is rejected. The automatically determining operates to reduce power consumption of the cooling system and/or the electronic system while ensuring that at least one targeted temperature associated with the cooling system or the electronic system is within a desired range. The automatically determining may be based, at least in part, on one or more experimentally obtained models relating the targeted temperature and power consumption of the one or more adjustable cooling components of the cooling system.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Controlled cooling of an electronic system for reduced energy consumption
Energy efficient control of a cooling system cooling an electronic system is provided. The control includes automatically determining at least one adjusted control setting for at least one adjustable cooling component of a cooling system cooling the electronic system. The automatically determining is based, at least in part, on power being consumed by the cooling system and temperature of a heat sink to which heat extracted by the cooling system is rejected. The automatically determining operates to reduce power consumption of the cooling system and/or the electronic system while ensuring that at least one targeted temperature associated with the cooling system or the electronic system is within a desired range. The automatically determining may be based, at least in part, on one or more experimentally obtained models relating the targeted temperature and power consumption of the one or more adjustable cooling components of the cooling system.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Water Scintillation under Proton Beam Exposure
Ionizing radiation has been accepted as an effective way to treat cancer patients by killing malignant tumors through localized energy deposition. Intensity modulated proton therapy is an advanced radiation delivery technique that provides a highly conformal dose, which converges to the target with less integral dose to normal tissue and organs. Radiation therapy treatments all require an extensive quality assurance (QA) program to ensure that the patient treatment plan is safe and could achieve its objective. Part of this process requires measuring and validating that the dose is reaching the target accurately and with the proper dose. Established QA methods are either costly, inconvenient or time consuming. Scintillation of water when exposed to gamma rays and electron beams has been observed and several QA methods have proposed to take advantage of this phenomena. The water scintillation phenomenon has recently been observed for proton beams as well. This study measured the light produced by proton beam passing water using a cooled charged-coupled device (CCD) camera and demonstrated how these finding could be used to develop a low-cost, efficient, and accurate QA process to verify proton beam spot location, spot shape, and 3D dose distribution. (authors)
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Primary and secondary battery consumption trends in Sweden 1996–2013: Method development and detailed accounting by battery type
Highlights: • Developed MFA method was validated by the national statistics. • Exponential increase of EEE sales leads to increase in integrated battery consumption. • Digital convergence is likely to be a cause for primary batteries consumption decline. • Factors for estimation of integrated batteries in EE are provided. • Sweden reached the collection rates defined by European Union. - Abstract: In this article, a new method based on Material Flow Accounting is proposed to study detailed material flows in battery consumption that can be replicated for other countries. The method uses regularly available statistics on import, industrial production and export of batteries and battery-containing electric and electronic equipment (EEE). To promote method use by other scholars with no access to such data, several empirically results and their trends over time, for different types of batteries occurrence among the EEE types are provided. The information provided by the method can be used to: identify drivers of battery consumption; study the dynamic behavior of battery flows – due to technology development, policies, consumers behavior and infrastructures. The method is exemplified by the study of battery flows in Sweden for years 1996–2013. The batteries were accounted, both in units and weight, as primary and secondary batteries; loose and integrated; by electrochemical composition and share of battery use between different types of EEE. Results show that, despite a fivefold increase in the consumption of rechargeable batteries, they account for only about 14% of total use of portable batteries. Recent increase in digital convergence has resulted in a sharp decline in the consumption of primary batteries, which has now stabilized at a fairly low level. Conversely, the consumption of integrated batteries has increased sharply. In 2013, 61% of the total weight of batteries sold in Sweden was collected, and for the particular case of alkaline manganese dioxide batteries, the value achieved 74%.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Using choice architecture to exploit a university Distinct Urban Mine
Highlights: • More than USD 11 million lie within this UK DUM for small household appliances. • Different collection systems should be established for working or broken appliances. • Consumer behaviour should inform choice architecture. •DUM evaluations should inform future collection system investments. - Abstract: There are widespread concerns regarding the potential future scarcity of ferrous and non-ferrous materials. However, there are already potentially rich reserves of secondary materials via high ownership of Electrical and Electronic Equipment (EEE) in economically-developed nations. Young people are particularly high consumers of EEE, thus university students and campuses may present an opportunity to harness this potential. University Distinct Urban Mines (DUM) may be used to exemplify how potential reserves of secondary metals may be exploited, and could contribute to the transition from a linear to a circular economy. This study aimed to evaluate small household appliances (SHA) DUM from a UK university, with the objectives to identify and quantify student households’ SHA ownership, WEEE recycling, stockpiling and discarding habits amongst student households, assess and evaluate the monetary potential of SHA DUM at UK level, and propose methods to exploit DUM for universities in the UK. To this purpose, a quantitative survey was undertaken to measure students’ ownership and discarding behaviour with respect to SHA. The amounts of ferrous and non-ferrous materials were then estimated and converted to monetary values from secondary materials market data to appraise the SHA DUM overall value. Thirty-five per cent of SHA are discarded in the general refuse. Broken personal care appliances (PCA) tend to be discarded due to hygiene and small size factors. When in working order, SHA tend to be equally reused, recycled or stockpiled. We conclude that a total of 189 tonnes of ferrous and non-ferrous materials were available via discarding or being stockpiled at the University of Southampton. Extrapolated to UK higher education level, discarded and stockpiled SHA represent a potential worth ∼USD 11 million. To initiate DUM exploitation within Higher Education campuses, we suggest improving users’ choice architecture by providing collection methods specific to broken SHA.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Glass-Fiber Reinforcement as a Means of Recycling Polymers from Post-Consumer Applications
A major barrier to the recycling of post-consumer plastics is the commingled nature of these materials with consequent poor and variable mechanical, thermal and flow properties. Using polymers from end-of-life electronics, this comprehensive study demonstrates that glass-reinforcement is a viable method for reusing post-consumer plastics. In this work, a twin screw extruder was used to incorporate short glass fibers into polycarbonate containing varying amounts of polymeric impurities. The mechanical and melt flow properties of the compounded polycarbonate, having as much as 50% impurity, were studied. It was observed that, in the presence of 15 wt% short glass fibers, the measured mechanical and flow properties of the glass-reinforced material containing 25% impurity in the matrix phase, were indistinguishable from the corresponding properties of the virgin polymer and containing the same amount of glass reinforcement but no impurities. The effectiveness of this approach was confirmed by obtaining similar mechanical property data on a variety of other glass-filled thermoplastics.
36 MATERIALS SCIENCE↗
Battery collection in municipal waste management in Japan: Challenges for hazardous substance control and safety
Highlights: • Consumers need to pay attention to the specific collection rules for each type of battery in each municipality in Japan. • 6–10% of zinc carbon and alkaline batteries discarded in Japan currently could be regarded as containing mercury. • Despite announcements by producers and municipalities, only 2.0% of discarded cylindrical dry batteries were insulated. • Batteries made up an average of 4.6% of the total collected small WEEE under the small WEEE recycling scheme in Japan. • Exchangeable batteries were used in almost all of mobile phones, but the removal rate was as low as 22% for mobile phones. - Abstract: To clarify current collection rules of waste batteries in municipal waste management in Japan and to examine future challenges for hazardous substance control and safety, we reviewed collection rules of waste batteries in the Tokyo Metropolitan Area. We also conducted a field survey of waste batteries collected at various battery and small waste electric and electronic equipment (WEEE) collection sites in Tokyo. The different types of batteries are not collected in a uniform way in the Tokyo area, so consumers need to pay attention to the specific collection rules for each type of battery in each municipality. In areas where small WEEE recycling schemes are being operated after the enforcement of the Act on Promotion of Recycling of Small Waste Electrical and Electronic Equipment in Japan in 2013, consumers may be confused about the need for separating batteries from small WEEE (especially mobile phones). Our field survey of collected waste batteries indicated that 6–10% of zinc carbon and alkaline batteries discarded in Japan currently could be regarded as containing mercury. More than 26% of zinc carbon dry batteries currently being discarded may have a lead content above the labelling threshold of the EU Batteries Directive (2006/66/EC). In terms of safety, despite announcements by producers and municipalities about using insulation (tape) on waste batteries to prevent fires, only 2.0% of discarded cylindrical dry batteries were insulated. Our field study of small WEEE showed that batteries made up an average of 4.6% of the total collected small WEEE on a weight basis. Exchangeable batteries were used in almost all of mobile phones, digital cameras, radios, and remote controls, but the removal rate was as low as 22% for mobile phones. Given the safety issues and the rapid changes occurring with mobile phones or other types of small WEEE, discussion is needed among stakeholders to determine how to safely collect and recycle WEEE and waste batteries.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Oxidation and recharge of reactive structural Fe( II ) in titanomagnetite (Fe 3− x Ti x O 4 ) nanoparticles
Mixed-valent iron oxide minerals, such as magnetite (Fe(II)(Fe(III)) 2 O 4 ), are an important source of solid-state ferrous iron (Fe(II)) that can impact the speciation and transport of electron accepting contaminants in the Earth’s subsurface, such as radioactive pertechnetate ( 99 Tc(VII)O 4 − ). However, when oxidizing conditions are encountered, structural Fe(II) at the mineral surface is consumed yielding a maghemite (γ-Fe(III) 2 O 3 )-like layer that limits further electron transfer. This oxidized surface layer can be recharged back to the original Fe(II)/(III) ratio by re-exposure to reducing conditions, i.e., aqueous solutions containing Fe 2+ . However, for substituted magnetite (Fe 3−x M x O 4 , M = transition metal cation), the extent of this redox recyclability is unclear. Here, we examine oxidation and recharge for titanomagnetite (Fe 3−x Ti x O 4 ) nanoparticles, where the Fe(II)/Fe(III) ratio varies by the amount of Fe(II) required to charge balance the titanium (Ti(IV)) substituted into the structure. The nanoparticles were synthesized by aqueous precipitation from a solution containing ferrous, ferric and titanium chloride at room temperature. Transmission electron microscopy combined with electron energy loss spectroscopy revealed that rapid precipitation formed core–shell-like nanoparticles consisting of a hyperstoichiometric magnetite core, with Ti(IV) and charge balancing Fe(II) enriched at the surface. This surface enrichment made Fe(II) more available for electron transfer reactions with redox active solution species. Examination of oxidation by H 2 O 2 followed by recharge with aqueous Fe 2+ indicates recyclability of reducing equivalents in the nanoparticles, yielding a core recrystallized to stoichiometric magnetite and a shell bearing excess Fe(II) to charge balance the substituted Ti(IV). The recharged particles are shown to have restored redox reactivity with 99 Tc(VII)O 4 − resulting in reduction to 99 Tc(IV)O 2 and oxidation of the structural Fe(II) to Fe(III).
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Superior model for fault tolerance computation in designing nano-sized circuit systems
As CMOS technology scales nano-metrically, reliability turns out to be a decisive subject in the design methodology of nano-sized circuit systems. As a result, several computational approaches have been developed to compute and evaluate reliability of desired nano-electronic circuits. The process of computing reliability becomes very troublesome and time consuming as the computational complexity build ups with the desired circuit size. Therefore, being able to measure reliability instantly and superiorly is fast becoming necessary in designing modern logic integrated circuits. For this purpose, the paper firstly looks into the development of an automated reliability evaluation tool based on the generalization of Probabilistic Gate Model (PGM) and Boolean Difference-based Error Calculator (BDEC) models. The Matlab-based tool allows users to significantly speed-up the task of reliability analysis for very large number of nano-electronic circuits. Secondly, by using the developed automated tool, the paper explores into a comparative study involving reliability computation and evaluation by PGM and, BDEC models for different implementations of same functionality circuits. Based on the reliability analysis, BDEC gives exact and transparent reliability measures, but as the complexity of the same functionality circuits with respect to gate error increases, reliability measure by BDEC tends to be lower than the reliability measure by PGM. The lesser reliability measure by BDEC is well explained in this paper using distribution of different signal input patterns overtime for same functionality circuits. Simulation results conclude that the reliability measure by BDEC depends not only on faulty gates but it also depends on circuit topology, probability of input signals being one or zero and also probability of error on signal lines.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Machine learning approach for vibronically renormalized electronic band structures
Here, we present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the nonperturbative frozen phonon formulation in which stochastic Monte Carlo algorithm is employed to sample configurations of nuclei in a supercell at finite temperatures based on a first-principles phonon model. A deep-learning neural network is trained to accurately predict physical properties associated with sampled phonon configurations, thus bypassing the time-consuming ab initio calculations. To incorporate the point-group symmetry of the electronic system into the ML model, group-theoretical methods are used to develop a symmetry-invariant descriptor for phonon configurations in the supercell. We apply our ML approach to compute the temperature dependent electronic energy gap of silicon based on density functional theory (DFT). We show that, with less than a hundred DFT calculations for training the neural network model, an order of magnitude larger number of sampling can be achieved for the computation of the vibrational thermal expectation values. Our work highlights the promising potential of ML techniques for finite temperature first-principles electronic structure methods.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Monte Carlo Simulation of Electron Interactions in an MeV-STEM for Thick Frozen Biological Sample Imaging
A variety of volume electron microscopy techniques have been developed to visualize thick biological samples. However, the resolution is limited by the sliced section thickness (>30–60 nm). To preserve biological samples in a hydrated state, cryo-focused ion beam scanning electron microscopy has been developed, providing nm resolutions. However, this method is time-consuming, requiring 15–20 h to image a 10 μm thick sample with an 8 nm slice thickness. There is a pressing need for a method that allows the rapid and efficient study of thick biological samples while maintaining nanoscale resolution. The remarkable ability of mega-electron-volt (MeV) electrons to penetrate thick biological samples, even exceeding 10 μm in thickness, while maintaining nanoscale resolution, positions MeV-STEM as a suitable microscopy tool for such applications. Our research delves into understanding the interactions between MeV electrons and frozen biological specimens through Monte Carlo simulations. Single elastic scattering, plural elastic scattering, single inelastic scattering, and plural inelastic scattering events have been simulated. The electron trajectories, the beam profile, and the intensity change of electrons in each category have been investigated. Additionally, the effects of the detector collection angle and the focal position of the electron beam were investigated. As electrons penetrated deeper into the specimen, single and plural elastic scattered electrons diminished, and plural inelastic scattered electrons became dominant, and the beam profile became wider. Even after 10 μm of the specimen, 42% of the MeV electrons were collected within 10 mrad. This confirms that MeV-STEM can be employed to study thick biological samples.
electron specimen interaction↗
Characterizing organic carbon dynamics during biostimulation of a uranium contaminated field site
Uranium contamination of groundwater remains a pressing problem at many former uranium mining and milling operations, such as the Rifle, Integrated Field Research Challenge (IFRC) site. Biostimulation of the subsurface with an organic carbon source such as acetate, followed by the microbially-induced reductive precipitation of uranium has been proposed as an effective remediation strategy. While uranium bioreduction has been studied in several field experiments, the transformation and fate of injected carbon remains poorly understood. This study evaluated the impact of added organic carbon on the long-term biogeochemical attenuation of uranium in the subsurface of a former mill tailings site. Fluorescence and ultraviolet–visible absorbance analyses were used together with dissolved organic carbon (DOC) measurements to track organic carbon dynamics during and post-biostimulation of the 2011 Rifle IFRC experiment. An electron mass balance was performed on well CD01 to account for any unidentified carbon sinks. Measured DOC values increased to 1.76 mM-C during biostimulation, and to 3.18 mM-C post-biostimulation over background DOC values of 0.3–0.4 mM-C. Elevated DOC levels persisted for 90 days after acetate injections ceased. The electron mass balance revealed that assumed electron acceptors would not account for the total amount of acetate consumed. Excitation–emission matrices showed an increase in signals associated with soluble microbial products, during biostimulation, which disappeared post-biostimulation despite an increase in total DOC. Specific ultraviolet absorbance analyses, indicated that DOC present post-biostimulation is less aromatic in nature, compared to background DOC. Furthermore, our results suggest that microbes convert injected acetate into a form of solid phase organic matter that may be available to sustain iron reduction post-stimulation.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
Efficient Pd on carbon catalyst for ammonium formate dehydrogenation: Effect of surface oxygen functional groups
Formate solution is one of a kind promising liquid organic hydrogen carrier but suffers from kinetic challenges. This study investigates the kinetics of the surfacefunctionalized Pd on carbon catalysts for formate dehydrogenation and the impact of O-functional groups. Here, the fraction of the distinguished O-functional groups was modulated by the different concentrated HNO 3 solutions treatment or by H 2 reduction. This study shows that the O-functional groups play critical roles in dispersing Pd nanoparticles and decreasing the activation energy for dehydrogenation. Density functional theory (DFT) calculation reveals that most O-functional groups enhance formate adsorption on the Pd active site. However, the existence of C=O groups consumes reducing agents and hinders the formation of metallic Pd. The electron transfer from Pd to oxygen functional groups is unfavorable to dehydrogenation. The as-prepared Pd5/re-ACA (reduced activated carbon washed by acid) exhibited significant activity with a higher turnover frequency of 13,511 h -1 than commercial Pd/C.
54 ENVIRONMENTAL SCIENCES↗
Multimodal and In-Situ Chemical Imaging of Critical Surfaces and Interfaces in Li Batteries
This article describes ways that a range of microscopy, spectroscopy, and spectrometry tools are being used to address important challenges associated with energy storage science and technology, in particular the development of advanced batteries for transportation, consumer use, and renewable storage. In this article in situ transmission electron microscopy, in situ secondary ion mass spectrometry, and XPS have been used to examine the formation and properties of the solid-electrolyte interphase (SEI) layer. Also TEM, atom probe tomography (APT), and nanoSIMS have been used to optimize the structure and processing of a lithium transition metal oxide cathode.
Batteries, XPS, TEM, nanoSIMS, liquid SIMS, Atom p↗
An adaptive interpolation scheme for molecular potential energy surfaces
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task—especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm based on polyharmonic splines combined with a partition of unity approach. The adaptive node refinement allows to greatly reduce the number of sample points by employing a local error estimate. The algorithm and its scaling behavior are evaluated for a model function in 2, 3, and 4 dimensions. The developed algorithm allows for a more rapid and reliable interpolation of a potential energy surface within a given accuracy compared to the non-adaptive version.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗