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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

High Energy, Long Cycle Life Lithium-ion Batteries for PHEV Application

High-loading and high quality PSU Si anode has been optimized and fabricated. The electrochemical performance has been utilized. The PSU Si-graphite anode exhibits the mass loading of 5.8 mg/cm2, charge capacity of 850 mAh/ g and good cycling performance. This optimized electrode has been used for full-cell fabrication. The performance enhancement of Ni-rich materials can be achieved by a diversity of strategies. Higher Mn content and a small amount of Al doping can improve the electrochemical performance by suppressing interfacial side reactions with electrolytes, thus greatly benefiting the cyclability of the samples. Also, surface coatings of Li-rich materials and AlF 3 are able to improve the performance stability of Ni-rich cathodes. One kilogram of optimized concentration-gradient LiNi 0.76 Co 0.10 Mn 0.14 O 2 (CG) with careful control of composition, morphology and electrochemical performance was delivered to our collaborators. The sample achieved an initial specific capacity close to 190 mA h g -1 at C/10 rate and 180 mA h g -1 at C/3 rate as well as good cyclability in pouch full cells with a 4.4 V upper cut-off voltage at room temperature. Electrolyte additive with Si-N skeleton forms a less resistant SEI on the surface of silicon anode (from PSU) as evidenced by the evolution of the impedance at various lithiation/de-lithiation stages and the cycling data The prelithiation result demonstrates a solution processing method to achieve large area, uniform SLMP coating on well-made anode surface for the prelithiation of lithium-ion batteries. The prelithiation effect with this method is applied both in graphite half cells, graphite/NMC full cells, SiO half cells, SiO/NMC full cells, Si-Graphite half cells and Si-Graphite/NMC full cells with improvements in cycle performance and higher first cycle coulombic efficiency than their corresponding cells without SLMP prelithiation. As to the full cell fabrication and test, full pouch cells with high capacity of 2.2 Ah and 1.2 Ah have been fabricated and delivered. The cells show great uniformity and good cycling performance. The prelithiation method effectively compensate the loss in the first cycle. The cell with high energy density and long-cycle life has been achieved.

25 ENERGY STORAGE↗
DOE OSTI2019

Electronic Structure and Related Band Parameters of Hexagonal Wurtzite Zn{sub 1−x}Mn{sub x}O Magnetic Semiconducting Alloys

The electronic band structure and related band parameters such as, lattice parameters, energy band gaps, density of states and magnetic moment of Zn{sub 1−x}Mn{sub x}O ternary system in the hypothetical hexagonal wurtzite structure have been investigated. The calculations are performed using a full-potential linearized augmented plane wave method based on density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof. The evolution of the features of interest with increasing the Mn doping concentration from 0 to 1 in the ZnO structure has been examined and discussed. Our findings show that the behaviour of all studied band parameters with respect to the alloy composition x is consistent with those reported experimentally in the literature. The present study may be useful for spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2015

Correlation of Electrical Resistance to CMC Stress-Strain and Fracture Behavior Under High Heat-Flux Thermal and Stress Gradients

Because SiCSiC ceramic matrix composites (CMCs) are under consideration for use as turbine engine hot-section components in extreme environments, it becomes necessary to investigate their performance and damage morphologies under complex loading and environmental conditions. Monitoring of electrical resistance (ER) has been shown as an effective tool for detecting damage accumulation of woven melt-infiltrated SiCSiC CMCs. However, ER change under complicated thermo-mechanical loading is not well understood. In this study a systematic approach is taken to determine the capabilities of ER as a relevant non-destructive evaluation technique for high heat-flux testing, including thermal gradients and localized stress concentrations. Room temperature and high temperature, laser-based tensile tests were conducted in which stress-dependent damage locations were determined using modal acoustic emission (AE) monitoring and compared to full-field strain mapping using digital image correlation (DIC). This information is then compared with the results of in-situ ER monitoring, post-test ER inspection and fractography in order to correlate ER response to convoluted loading conditions and damage evolution.

electrical resistance↗
NASA NTRS1973

Finite beta drift Alfven instability

We propose a means by which the theory of drift instabilities can be extended to plasmas of arbitrary beta. We then concentrate on the drift Alfven instability driven by an electron temperature gradient, proposed by Coroniti and Kennel (1970) to be a source of Pi 1 micropulsations on auroral lines of force. Even at relatively low beta the full finite beta theory differs considerably from previous low beta theories and produces better agreement with observation.

Chance, M. S.↗
DOE OSTI2024

Surface Atomic Rearrangement with High Cation Ordering for Ultra-Stable Single-Crystal Ni-Rich Co-Less Cathode Materials

It is crucial to minimize cobalt content in Ni-rich layered single-crystal cathodes due to their high price and limited availability, yet it will inevitably lead to cation disordering, capacity degradation, and thermal issues. Herein, to overcome the intrinsic trade-off between performance and composition of Ni-rich Co-less single-crystal cathodes, a precursor engineering strategy with an epitaxially grown cobalt enrichment on the surface is innovatively proposed. In contrast to traditional coating modifications with random orientation and rigid surface-bulk boundary, the epitaxially enriched surface cobalt layer on the precursor undergoes rapid interdiffusion with the internal Ni 3+ during the optimized sintering process. This interdiffusion eliminates the surface-bulk boundary, promoting the uniform distribution of cobalt and synergistically addressing the Li/Ni intermixing. Moreover, an enhanced surface Li + diffusion is obtained, thereby suppressing the Li + concentration gradient and intragranular cracks generation. Consequently, the modified LiNi 0.7 Co 0.07 Mn 0.23 O 2 exhibits impressive cycling stability with increased capacity retention in both coin-type half-cells and pouch-type full-cells (91% after 1000 cycles), even under the harsh condition of high-temperature, surpassing the majority of previously reported Ni-rich cathodes. Finally, this work opens new avenues toward the low cost, high energy density, thermal stability, and long cyclic life for Ni-rich Co-less cathodes and sheds light on large-scale commercial production.

25 ENERGY STORAGE↗
DOE OSTI2012

INTEGRAL FIELD SPECTROSCOPY AND MULTI-WAVELENGTH IMAGING OF THE NEARBY SPIRAL GALAXY NGC 5668 : AN UNUSUAL FLATTENING IN METALLICITY GRADIENT

We present an analysis of the full bidimensional optical spectral cube of the nearby spiral galaxy NGC 5668, observed with the Pmas fiber PAcK Integral Field Unit (IFU) at the Calar Alto observatory 3.5 m telescope. We make use of broadband imaging to provide further constraints on the evolutionary history of the galaxy. This data set will allow us to improve our understanding of the mechanisms that drive the evolution of disks. We investigated the properties of 62 H II regions and concentric rings in NGC 5668 and derived maps in ionized-gas attenuation and chemical (oxygen) abundances. We find that while inward of r {approx}36'' {approx} 4.4 kpc {approx} 0.36 (D{sub 25}/2) the derived O/H ratio follows the radial gradient typical of spiral galaxies, the abundance gradient beyond r {approx} 36'' flattens out. The analysis of the multi-wavelength surface brightness profiles of NGC 5668 is performed by fitting these profiles with those predicted by chemo-spectrophotometric evolutionary models of galaxy disks. From this, we infer a spin and circular velocity of {lambda} = 0.053 and v{sub c} = 167 km s{sup -1}, respectively. The metallicity gradient and rotation curve predicted by this best-fitting galaxy model nicely match the values derived from the IFU observations, especially within r {approx}36''. The same is true for the colors despite some small offsets and a reddening in the bluest colors beyond that radius. On the other hand, deviations of some of these properties in the outer disk indicate that a secondary mechanism, possibly gas transfer induced by the presence of a young bar, must have played a role in shaping the recent chemical and star formation histories of NGC 5668.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Assessing regional scale predictions of aerosols, marine stratocumulus, and their interactions during VOCALS-REx using WRF-Chem

This study assesses the ability of the recent chemistry version (v3.3) of the Weather Research and Forecasting (WRF-Chem) model to simulate boundary layer structure, aerosols, stratocumulus clouds, and energy fluxes over the Southeast Pacific Ocean. Measurements from the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx) and satellite retrievals (i.e., products from the MODerate resolution Imaging Spectroradiometer (MODIS), Clouds and Earth's Radiant Energy System (CERES), and GOES-10) are used for this assessment. The Morrison double-moment microphysics scheme is newly coupled with interactive aerosols in the model. The 31-day (15 October-16 November 2008) WRF-Chem simulation with aerosol-cloud interactions (AERO hereafter) is also compared to a simulation (MET hereafter) with fixed cloud droplet number concentrations in the microphysics scheme and simplified cloud and aerosol treatments in the radiation scheme. The well-simulated aerosol quantities (aerosol number, mass composition and optical properties), and the inclusion of full aerosol-cloud couplings lead to significant improvements in many features of the simulated stratocumulus clouds: cloud optical properties and microphysical properties such as cloud top effective radius, cloud water path, and cloud optical thickness. In addition to accounting for the aerosol direct and semi-direct effects, these improvements feed back to the simulation of boundary-layer characteristics and energy budgets. Particularly, inclusion of interactive aerosols in AERO strengthens the temperature and humidity gradients within the capping inversion layer and lowers the marine boundary layer (MBL) depth by 130 m from that of the MET simulation. These differences are associated with weaker entrainment and stronger mean subsidence at the top of the MBL in AERO. Mean top-of-atmosphere outgoing shortwave fluxes, surface latent heat, and surface downwelling longwave fluxes are in better agreement with observations in AERO, compared to the MET simulation. Nevertheless, biases in some of the simulated meteorological quantities (e.g., MBL temperature and humidity) and aerosol quantities (e.g., underestimations of accumulation mode aerosol number) might affect simulated stratocumulus and energy fluxes over the Southeastern Pacific, and require further investigation. The well-simulated timing and outflow patterns of polluted and clean episodes demonstrate the model's ability to capture daily/synoptic scale variations of aerosol and cloud properties, and suggest that the model is suitable for studying atmospheric processes associated with pollution outflow over the ocean. The overall performance of the regional model in simulating mesoscale clouds and boundary layer properties is encouraging and suggests that reproducing gradients of aerosol and cloud droplet concentrations and coupling cloud-aerosol-radiation processes are important when simulating marine stratocumulus over the Southeast Pacific.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Low Mach number fluctuating hydrodynamics of multispecies liquid mixtures

We develop a low Mach number formulation of the hydrodynamic equations describing transport of mass and momentum in a multispecies mixture of incompressible miscible liquids at specified temperature and pressure, which generalizes our prior work on ideal mixtures of ideal gases [Balakrishnan et al., “Fluctuating hydrodynamics of multispecies nonreactive mixtures,” Phys. Rev. E 89 013017 (2014)] and binary liquid mixtures [Donev et al., “Low mach number fluctuating hydrodynamics of diffusively mixing fluids,” Commun. Appl. Math. Comput. Sci. 9(1), 47-105 (2014)]. In this formulation, we combine and extend a number of existing descriptions of multispecies transport available in the literature. The formulation applies to non-ideal mixtures of arbitrary number of species, without the need to single out a “solvent” species, and includes contributions to the diffusive mass flux due to gradients of composition, temperature, and pressure. Momentum transport and advective mass transport are handled using a low Mach number approach that eliminates fast sound waves (pressure fluctuations) from the full compressible system of equations and leads to a quasi-incompressible formulation. Thermal fluctuations are included in our fluctuating hydrodynamics description following the principles of nonequilibrium thermodynamics. We extend the semi-implicit staggered-grid finite-volume numerical method developed in our prior work on binary liquid mixtures [Nonaka et al., “Low mach number fluctuating hydrodynamics of binary liquid mixtures,” http://arxiv.org/abs/1410.2300 (2015)] and use it to study the development of giant nonequilibrium concentration fluctuations in a ternary mixture subjected to a steady concentration gradient. We also numerically study the development of diffusion-driven gravitational instabilities in a ternary mixture and compare our numerical results to recent experimental measurements [Carballido-Landeira et al., “Mixed-mode instability of a miscible interface due to coupling between Rayleigh–Taylor and double-diffusive convective modes,” Phys. Fluids 25, 024107 (2013)] in a Hele-Shaw cell. We find that giant nonequilibrium fluctuations can trigger the instability but are eventually dominated by the deterministic growth of the unstable mode, in both quasi-two-dimensional (Hele-Shaw) and fully three-dimensional geometries used in typical shadowgraph experiments.

42 ENGINEERING↗
DOE OSTI2012

Experiment on large scale plume interaction with a stratified gas environment resembling the thermal activity of a autocatalytic recombiner

Computational Fluid Dynamics codes (CFD) are increasingly being used to simulate containment conditions after various transient accident scenarios. Consequently, the reliability of such codes must be tested against experimental data. Such validation experiments related to gas mixing and hydrogen transport within containment compartments addressing the effect of heat source are presented in this paper. The experiments were conducted in the large-scale thermal-hydraulics PANDA facility located at the Paul-Scherrer-Inst. (PSI) in Switzerland, in the frame of the OECD/SETH-2 project. A 10 kW electric heater simulating the thermal activity of the autocatalytic recombiner was activated at full power in a containment vessel at the top of which a thick helium layer is initially present. The hot plume interacts with the bottom of the helium layer which is slowly eroded until complete break up at 1350 s. After final erosion of the layer a strong temperature and concentration gradient is maintained in the vessel below the heater inlet as well as in the adjacent vessel below the interconnecting pipe. A detailed characterization of the operating heater suggests the presence of cold gas ingress at the outlet that affects the flow in the chimney. This can be of concern if present in a real PAR unit. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Development of morphogen gradient: The role of dimension and discreteness

The fundamental processes of biological development are governed by multiple signaling molecules that create non-uniform concentration profiles known as morphogen gradients. It is widely believed that the establishment of morphogen gradients is a result of complex processes that involve diffusion and degradation of locally produced signaling molecules. We developed a multi-dimensional discrete-state stochastic approach for investigating the corresponding reaction-diffusion models. It provided a full analytical description for stationary profiles and for important dynamic properties such as local accumulation times, variances, and mean first-passage times. The role of discreteness in developing of morphogen gradients is analyzed by comparing with available continuum descriptions. It is found that the continuum models prediction about multiple time scales near the source region in two-dimensional and three-dimensional systems is not supported in our analysis. Using ideas that view the degradation process as an effective potential, the effect of dimensionality on establishment of morphogen gradients is also discussed. In addition, we investigated how these reaction-diffusion processes are modified with changing the size of the source region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Half-metallic ferromagnetism in Cr-doped semiconducting Ge-chalcogenide: Density functional approach

A supercell approach has been used to calculate the electronic and magnetic properties of Cr-doped Ge chalcogenide, Ge{sub 1−x}Cr{sub x}Te (x = 0.25 and 0.125). The calculations have been performed using full potential Linear Augmented Plane Wave (FPLAPW) method within generalized gradient approximation (GGA) as exchange-correlation (XC) potential. The calculated results show that the doping of Cr induces the 100% spin polarization at Fermi level (EF) and showed the robust half metallic ferromagnetism in this compound. Thus, the compound at both dopant concentrations behave as dilute magnetic semiconductor (DMS) showing metallic property in majority and semiconducting for minority spin channels which is best suited for spintronic applications. The total magnetic moments of this compound are mainly due to Cr-d states present at E{sup F} with negligible contribution from electronic states of other atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Modelling and Experimental Validation of Improved Performance of Lithium-Ion Batteries Having Thick Electrodes with Laser-Ablated Micro-Structures

For widespread adoption of electric vehicles, lithium-ion batteries (LiBs) need to achieve energy densities of >275 Wh/kg, cost less than $100/Wh, and charge to more than 80% capacity within 15 minutes. Increasing the battery electrode thicknesses is one way to increase cell energy densities while also saving on cell manufacturing cost by increasing the ratio of electrode active material to inactive material within each cell. However, increased electrode loading is often accompanied by decreased Li+-ion diffusion across the full thick electrodes. This leads to significant cell polarization that prevents full capacity utilization and accelerates cell degradation, especially at fast charging/discharging rates. The introduction of secondary pore networks in thick battery electrodes alleviates some of the trade-offs between energy and power performance. These microstructures provide low tortuosity pathways for facile Li+-ion diffusion deep into the thick electrodes, diminishing detrimental concentration gradients within the cell. Ultrafast-pulsed laser ablation is a promising method to introduce micro pores or channels in thick battery electrodes as it allows for precise control of pattern geometries, results in minimal damage to the electrode and can be introduced into existing roll-to-roll electrode manufacturing lines. Herein, the limitations of thick planer electrodes and the advanced predictive models to identify optimal electrode patterns for improved cycling performance will be presented. The impact of electrode laser patterning to create secondary pore networks also will be discussed. Materials characterization techniques (SEM-EDS, XRD) were used to explore the affect ultrafast laser ablation had on the electrode materials’ morphology and structure. The improvements in the patterned electrodes’ electrochemical cycling performances and degrees of wetting will be compared to a pristine baseline case. Finally, the discrepancies between experimentally obtained data and model predictions will be explained.

DIRECT ENERGY CONVERSION,ENERGY STORAGE↗
DOE OSTI2013

The Design of an Ultra-Low Background Thermosyphon for the Majorana Demonstrator

The MAJORANA DEMONSTRATOR (MJD) is an ultra-low background neutrinoless double-beta decay (0νββ) experiment that will deploy up to 40 kg of high purity germanium detectors (HPGe). The goal of this experiment is to demonstrate the feasibility of building a detector array with less than 1 event/ton-year in a 4 keV region of interest around the 0νββ signal. HPGe diodes, when used as ionizing radiation detectors, need to be maintained at a temperature close to that of liquid nitrogen (77 K). This work describes the R&D results of a cryogenic system capable of meeting the requirements of low background and the cooling capacity required to successfully operate such a detector system. The MJD germanium detector modules will operate at liquid nitrogen temperature to provide adequate cooling for a full range of HPGe impurity concentrations. This paper shows the experimental results obtained using a two-phase horizontal thermosyphon using liquid nitrogen as the MJD’s cooling system. The cold test shows that the proposed thermosyphon has sufficient cooling power to handle the heat load of an MJD module. Results for the temperature gradient across the thermosyphon, cooling capacity, and design considerations demonstrate that the thermosyphon can effectively remove the calculated heat load of each module of the experiment. The thermosyphon will be bolted to a cold plate from which detector strings will hang. The thermal conductivity of a mockup of the MJD bolted thermal joint is experimentally determined to be below 0.1 K/W.

Detector arrays↗
DOE OSTI2025

Electrochemical-Mechanical Coupling Strongly Affects the Performance of Nanopore, Thin-Film, and Solid-State Batteries

Here, the present study focuses on the electrochemical-mechanical (ECM) coupling effects of a thin-film, solid-state battery with only stiff, ceramic materials, in contrast to prior investigations that focus on individual active material particles or aggregations of particles. We model the impacts of ECM couplings including stress-transport and stress-equilibrium potential on the full-cell performance and potential mechanical failure modes of a thin-film battery conformally deposited in a nanopore scaffold, which is an experimentally achievable device. Model results indicate electrode volume changes due to lithium insertion or removal, along with mechanical boundary conditions, result in stress gradients that alter the lithium-ion flux, reduce lithium concentration gradients, and improve cell rate capability. However, the high stress levels in the cell can also lead to mechanics-related failure such as the separation of cell layers. For the parameter set in this work, stress-transport coupling has a much greater influence on rate capability than stress-potential coupling. Optimization of thin-film batteries to harness the benefits of ECM coupling effects requires leveraging geometric design and material selection. The current work underscores the need for further theoretical and experimental investigation into ECM coupling effects in thin-film batteries to enhance their understanding and design optimization.

25 ENERGY STORAGE↗
NASA NTRS2019

Accelerated Simulation of Air Pollution Using NVIDIA RAPIDS

Atmospheric chemistry models are a central tool to study and forecast the impact of air pollution on the environment, vegetation, and human health. However, the numerical simulation of chemical kinetics is computationally expensive due to the stiffness of the system of ordinary differential equations that describes atmospheric chemistry. Here we present an alternative approach to the computation of atmospheric chemistry based on machine learning. Our training data set is produced using the NASA Goddard Earth Observing System (GEOS) model with GEOS-Chem chemistry, run on the NASA Center for Climate Simulation (NCCS) Discover supercomputing cluster on 384 Intel Xeon Haswell cores. This model spends more than 50% of total run time on solving atmospheric chemistry. The data set contains as input features the air pollution concentrations before solving the differential equations, together with some key physical parameters such as temperature and sun intensity. As target variables we define the air pollution concentrations after solving the differential equations. Using Dask-cuDF and Dask-XGBoost on the NVIDIA RAPIDS platform on 8 Tesla V100 GPUs, we generate from this training set gradient boosted decision tree models that can reproduce the simulation of chemical kinetics. We do this on the NCCS Advanced Data Analytics Platform (ADAPT) science cloud environment. Our application takes full advantage of recent advances in Dask-XGBoost, such as multi-node and multi-GPU scaling for distributed training with large data sets. The increase in training data size enabled by this is critical to capture the full range of chemical environments encountered across the globe and all annual seasons.The boosted tree models offer good predictability and show many of the features of the full chemistry reference simulation. Further improvements can be achieved through mass balance considerations and by accounting for error correlations. We incorporate the boosted tree models into the GEOS reference model using XGBoost's C API. This enables a seamless integration of the GPU trained models into GEOS-Chem, which is written in Fortran and optimized for use in a massively parallel CPU environment. We show the benefits of this approach and discuss the potential speedup of this machine learning accelerated atmospheric chemistry model.

Keller, Christoph A.↗
DOE OSTI2018

First-principles study of electronic structure and Fermi surface in semimetallic YAs

In the course of searching for new systems, which exhibit nonsaturating and extremely large positive magnetoresistance, electronic structure, Fermi surface, and de Haas-van Alphen characteristics of the semimetallic YAs compound were studied using the all-electron full-potential linearized augmented-plane wave (FP–LAPW) approach in the framework of the generalized gradient approximation (GGA). In the scalar-relativistic calculation, the cubic symmetry splits fivefold degenerate Y- d orbital into low-energy threefold-degenerate and twofold degenerate doublet states at point around the Fermi energy. Furthermore one of them, together with the threefold degenerate character of As-p orbital, render the YAs semimetal with a topologically trivial band order and fairly low density of states at the Fermi level. Including spin–orbit (SO) coupling into the calculation leads to pronounced splitting of the state and shifting the bands in the energy scale. Consequently, the determined four different 3-dimensional Fermi surface sheets of YAs consists of three concentric hole-like bands at and one ellipsoidal electron-like sheet centred at the X points. In full accordance with the previous first-principles calculations for isostructural YSb and YBi, the calculated Fermi surface of YAs originates from fairly compensated multi-band electronic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Self-similar solutions for multi-species plasma mixing by gradient driven transport

We report that multi-species transport of plasma ions across an initial interface between DT and CH is shown to exhibit self-similar species density profiles under 1D isobaric conditions. Results using transport theory from recent studies and using a Maxwell–Stephan multi-species approximation are found to be in good agreement for the self-similar mix profiles of the four ions under isothermal and isobaric conditions. The individual ion species mass flux and molar flux profile results through the mixing layer are examined using transport theory. The sum over species mass flux is confirmed to be zero as required, and the sum over species molar flux is related to a local velocity divergence needed to maintain pressure equilibrium during the transport process. The light ion species mass fluxes are dominated by the diagonal coefficients of the diffusion transport matrix, while for the heaviest ion species (C in this case), the ion flux with only the diagonal term is reduced by about a factor two from that using the full diffusion matrix, implying the heavy species moves more by frictional collisions with the lighter species than by its own gradient force. Temperature gradient forces were examined by comparing profile results with and without imposing constant temperature gradients chosen to be of realistic magnitude for ICF experimental conditions at a fuel-capsule interface (10 μm scale length or greater). The temperature gradients clearly modify the relative concentrations of the ions, for example near the fuel center, however the mixing across the fuel-capsule interface appears to be minimally influenced by the temperature gradient forces within the expected compression and burn time. Finally, discussion considers the application of the self-similar profiles to specific conditions in ICF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Unravelling Photocarrier Dynamics beyond the Space Charge Region for Photoelectrochemical Water Splitting

Semiconductor photoelectrodes for photoelectrochemical (PEC) water splitting require efficient carrier generation, separation, and transport at and beyond the space charge region (SCR) formed at the aqueous interface. The trade-off between photon collection and minority carrier delivery governs the photoelectrode design and implies maximum water splitting efficiency at an electrode thickness equivalent to the light absorption depth. Here, using planar ZnO thin films as a model system, we identify the photocarriers beyond the SCR as another significant source to substantially enhance the PEC performance. The high-quality ZnO films synthesized by pulsed laser deposition feature very few deep trap states and support a long photocarrier lifetime. Combined with photoelectrochemical characterization, ultrafast spectroscopy, and numerical calculations, it is revealed that engineering the exciton concentration gradient by film thickness facilitates the inward diffusion of photocarriers from the neighboring illuminated region to the SCR and, therefore, achieves a record high quantum efficiency over 80% at a thickness far beyond its light absorption depth and the SCR width. Furthermore, these results elucidate the important role of the photocarriers beyond SCR for the PEC process and provide new insight into exploring the full potential for efficient photoelectrode materials with large exciton diffusivity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗