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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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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Robust and conductive two-dimensional metal-organic frameworks with exceptionally high volumetric and areal capacitance

For miniaturized capacitive energy storage, volumetric and areal capacitances are more important metrics than gravimetric ones because of the constraints imposed by device volume and chip area. Typically used in commercial supercapacitors, porous carbons, although they provide a stable and reliable performance, lack volumetric performance because of their inherently low density and moderate capacitances. In this paper, we report a high-performing electrode based on conductive hexaaminobenzene (HAB)-derived two-dimensional metal-organic frameworks (MOFs). In addition to possessing a high packing density and hierarchical porous structure, these MOFs also exhibit excellent chemical stability in both acidic and basic aqueous solutions, which is in sharp contrast to conventional MOFs. Submillimetre-thick pellets of HAB MOFs showed high volumetric capacitances up to 760 F cm -3 and high areal capacitances over 20 F cm -2 . Furthermore, the HAB MOF electrodes exhibited highly reversible redox behaviours and good cycling stability with a capacitance retention of 90% after 12,000 cycles. In conclusion, these promising results demonstrate the potential of using redox-active conductive MOFs in energy-storage applications.

25 ENERGY STORAGE↗
DOE OSTI2014

Reduced graphene oxide and vertically aligned carbon nanotubes superhydrophilic films for supercapacitors devices

Graphical abstract: - Highlights: • Graphene nanosheets were produced onto wire rods. • RGO and VACNT-O were evaluated and compared as supercapacitor electrode. • RGO and VACNT-O have structural and electrochemical properties quite similars. • The materials present good specific capacitance, energy storage and power delivery. - Abstract: Reduced graphene oxide (RGO) and vertically aligned carbon nanotubes (VACNT) superhydrophilic films were prepared by chemical vapor deposition techniques for electrical energy storage investigations. These electrodes were characterized in terms of their material and electrochemical properties by scanning electron microscopy (SEM), surface wettability, Fourier transform infrared spectroscopy (FTIR), energy dispersive and Raman spectroscopies, cyclic voltammetry (CV) and galvanostatic charge–discharge. We observed several physical structural and electrochemical similarities between these carbon-based materials with particular attention to very good specific capacitance, ultra-high energy storage and fast power delivery. Our results showed that the main difference between specific capacitance values is attributed to pseudocapacitive contribution and high density of multiwall nanotubes tips. In this work we have tested a supercapacitor device using the VACNT electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The dominant factors affecting the memory characteristics of (Ta{sub 2}O{sub 5}){sub x}(Al{sub 2}O{sub 3}){sub 1−x} high-k charge-trapping devices

The prototypical charge-trapping memory devices with the structure p-Si/Al{sub 2}O{sub 3}/(Ta{sub 2}O{sub 5}){sub x}(Al{sub 2}O{sub 3}){sub 1−x}/Al{sub 2}O{sub 3}/Pt(x = 0.5, 0.3, and 0.1) were fabricated by using atomic layer deposition and RF magnetron sputtering techniques. A memory window of 7.39 V with a charge storage density of 1.97 × 10{sup 13 }cm{sup −2} at a gate voltage of ±11 V was obtained for the memory device with the composite charge trapping layer (Ta{sub 2}O{sub 5}){sub 0.5}(Al{sub 2}O{sub 3}){sub 0.5}. All memory devices show fast program/erase speed and excellent endurance and retention properties, although some differences in their memory performance exist, which was ascribed to the relative individual band alignments of the composite (Ta{sub 2}O{sub 5}){sub x}(Al{sub 2}O{sub 3}){sub 1−x} with Si.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Special Nuclear Material Characterization Using Digital 3-D Position Sensitive CdZnTe Detectors and High Purity Germanium Spectrometers

Special nuclear material (SNM) monitoring often requires high resolution gamma-ray spectroscopy for material characterization. Portable systems and rapid deployment are also highly valued for some applications. Deployable gamma-ray imaging spectrometers using pixelated CdZnTe semiconductor detectors have become commercially available within the past three years to meet these requirements. CdZnTe systems have demonstrated room-temperature energy resolutions below 0.5% FWHM at 662 keV using single pixel events and below 0.7% FWHM at 662 keV using all events. The systems are able to go from storage to measurement in less than two minutes. Special nuclear materials were measured at the Y-12 National Security Complex and at the Device Assembly Facility at the Nevada National Security Site. The use of a CdZnTe system to measure uranium enrichment was demonstrated and uranium spectral features were compared to a commercially available high purity germanium (HPGe) spectrometer. The use of passive gamma ray spectroscopy techniques to estimate plutonium grade using CdZnTe detectors was demonstrated for the first time.

CdZnTe detectors, gamma-ray imaging, gamma-ray spe↗
DOE OSTI2018

Operando Studies Reveal Structural Evolution with Electrochemical Cycling in Li–CoS 2

The desire for high energy density alternatives to Li-ion batteries has led to great interest in energy storage materials not inherently constrained by the capacity limits of standard intercalation electrode materials currently employed in commercial devices. Among the alternatives under consideration are electrode materials with theoretical capacities many times greater than intercalation electrodes, including those that store charge through so-called conversion reactions. However, the vast structural changes that enable the high theoretical capacity of conversion systems contribute to issues of poor efficiency and short cycle life. To better understand the cycling issues in conversion systems, we study the local structure evolution of the cathode active material in LiCoS 2 cells. Being metallic, and potentially being capable of redox on both the anion and cation, we would expect CoS 2 to be a promising cathode material. Through combined ex situ X-ray absorption near-edge spectroscopy and pair distribution function analysis from operando X-ray total scattering, we describe the reactions that take place over the first 1.5 cycles. In doing so, we identify the irreversible formation of a Co 9 S 8 -like local structure with significantly limited electrochemical activity as the primary source of capacity fade. The methods employed here and the insights that emerge inform the rational design of conversion systems for electrochemical energy storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Catalytic Activity and Stability of Non-Platinum Group Metal Oxides for the Oxygen Evolution Reaction in Anion Exchange Membrane Electrolyzers

The activities and stabilities of non-platinum group metals (PGMs) in the forms of monometallic (Mn 2 O 3 , Fe 2 O 3 , Co 3 O 4 , NiO) and bimetallic (NiFe 2 O 4 , CoNiO 2 ) oxides were assessed for the oxygen evolution reaction (OER) in alkaline media and compared with IrO 2 . Both half-cell, rotating disc electrode (RDE) apparatus and single-cell, membrane electrode assemblies (MEA) were used to study kinetic and device-level performance in parallel and to provide insights into the use of these materials in anion exchange membrane (AEM) electrolyzers. Normalization of RDE results by geometric and physical surface areas, double layer capacitance, and metal content probed differences in physically vs electrochemically accessible surface areas and ensured reported trends were independent of the normalization method. The results showed that: (i) Ni- and Co- containing materials met or exceeded IrO 2 performance in both RDE and MEA testing, (ii) Co 3 O 4 deactivated over time-on-stream (1.8 V for 13.5 h) due to oxide and, relatedly, particle growth, (iii) NiFe 2 O 4 increased in activity over time-on-stream due to dissolution of Fe and an increased Ni/Fe ratio, and (iv) reduction of catalyst layer resistance is an avenue to further increase device-level performance. These results demonstrated the clear viability for non-PGMs to be used as anode catalysts in AEM devices.

25 ENERGY STORAGE↗
DOE OSTI2018

Interfacial Modifiers

Our project objective in the first and only Budget Period was to demonstrate the potential of nm-scale organofunctional silane coatings as a method of extending the lifetime of PV materials and devices. Specifically, the target was to double the lifetime performance of a laminated Cu(In,Ga)Se2 (CIGS) cell under real-world and accelerated aging exposure conditions. Key findings are that modification of aluminum-doped zinc oxide (AZO) films (materials used as transparent conductive oxide (TCO) top contacts) resulted in decreased degradation of optical and electrical properties under damp heat (DH) exposure compared to un-modified AZO. The most significant finding is that modification of the AZO top contact of full CIGS devices resulted in significantly improved properties under DH exposure compared to un-modified devices, by a factor of 4 after 1000 h. Results of this one-year project have demonstrated that surface functionalization is a viable pathway for extending the lifetime of state-of-the-art CIGS devices.

14 SOLAR ENERGY↗
DOE OSTI2014

Production of battery grade materials via an oxalate method

An active electrode material for electrochemical devices such as lithium ion batteries includes a lithium transition metal oxide which is free of sodium and sulfur contaminants. The lithium transition metal oxide is prepared by calcining a mixture of a lithium precursor and a transition metal oxalate. Electrochemical devices use such active electrodes.

25 ENERGY STORAGE↗
DOE OSTI2016

Production of battery grade materials via an oxalate method

An active electrode material for electrochemical devices such as lithium ion batteries includes a lithium transition metal oxide which is free of sodium and sulfur contaminants. The lithium transition metal oxide is prepared by calcining a mixture of a lithium precursor and a transition metal oxalate. Electrochemical devices use such active electrodes.

25 ENERGY STORAGE↗
DOE OSTI2016

Design and delivery of the diamond double double bend achromat project

A major project is underway at Diamond Light Source to remove one of the 24 Double Bend Achromat (DBA) Storage Ring cells and replace it with a Double Double Bend Achromat (DDBA). In this way a new Insertion Device (ID) straight can be created and so ID light can be produced and delivered to a beamline previously only capable of receiving Bending Magnet (BM) radiation. This project is in support of the micro-focus Protein Crystallography (MX) beamline VMX-m which is scheduled to take users towards the end of 2017. This paper describes the Engineering Design of the DDBA project in more detail and gives the current status of the project.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

GPU Direct I/O with HDF5

Exascale HPC systems are being designed with accelerators, such as GPUs, to accelerate parts of applications. In machine learning workloads as well as large-scale simulations that use GPUs as accelerators, the CPU (or host) memory is currently used as a buffer for data transfers between GPU (or device) memory and the file system. If the CPU does not need to operate on the data, then this is sub-optimal because it wastes host memory by reserving space for duplicated data. Furthermore, this “bounce buffer” approach wastes CPU cycles spent on transferring data. A new technique, NVIDIA GPUDirect Storage (GDS), can eliminate the need to use the host memory as a bounce buffer. Thereby, it becomes possible to transfer data directly between the device memory and the file system. This direct data path shortens latency by omitting the extra copy and enables higher-bandwidth. To take full advantage of GDS in existing applications, it is necessary to provide support with existing I/O libraries, such as HDF5 and MPI-IO, which are heavily used in applications. In this paper, we describe our effort of integrating GDS with HDF5, the top I/O library at NERSC and at DOE leadership computing facilities. We design and implement this integration using a HDF5 Virtual File Driver (VFD). The GDS VFD provides a file system abstraction to the application that allows HDF5 applications to perform I/O without the need to move data between CPUs and GPUs explicitly. We compare performance of the HDF5 GDS VFD with explicit data movement approaches and demonstrate superior performance with the GDS method.

Ravi, J↗
DOE OSTI2021

Impacts of noise and structure on quantum information encoded in a quantum memory

As larger, higher-quality quantum devices are built and demonstrated in quantum information applications, such as quantum computation and quantum communication, the need for high-quality quantum memories to store quantum states becomes ever more pressing. Future quantum devices likely will use a variety of physical hardware, some being used primarily for processing of quantum information and others for storage. Here we study the correlation of the structure of quantum information with physical noise models of various possible quantum memory implementations. Through numerical simulation of different noise models and approximate analytical formulas applied to a variety of interesting quantum states, we provide comparisons between quantum hardware with different structure, including both qubit- and qudit-based quantum memories. Our findings point to simple, experimentally relevant formulas for the relative lifetimes of quantum information in different quantum memories and have relevance to the design of hybrid quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism

Alloying in 2D results in the development of new, diverse, and versatile systems with prospects in bandgap engineering, catalysis, and energy storage. Tailoring structural phase transitions using alloying is a novel idea with implications in designing all 2D device architecture as the structural phases in 2D materials such as transition metal dichalcogenides are correlated with electronic phases. In this paper, this study develops a new growth strategy employing chemical vapor deposition to grow monolayer 2D alloys of Re-doped MoSe 2 with show composition tunable structural phase variations. The compositions where the phase transition is observed agree well with the theoretical predictions for these 2D systems. Finally, it is also shown that in addition to the predicted new electronic phases, these systems also provide opportunities to study novel phenomena such as magnetism which broadens the range of their applications.

2D materials↗
DOE OSTI2020

3D printing of metal-based materials for renewable energy applications

Large-scale renewable energy must overcome conversion and storage challenges before it can replace fossil fuels due to its intermittent nature. However, current sustainable energy devices still suffer from high cost, low efficiency, and poor service life problems. Recently, porous metal-based materials have been widely used as desirable cross-functional platforms for electrochemical and photochemical energy systems for their unique electrical conductivity, catalytic activity, and chemical stability. To tailor the porosity length scale, ordering, and compositions, 3D printing has been applied as a disruptive manufacturing revolution to create complex architected components by directly joining sequential layers into designed structures. In conclusion, this article intends to summarize cutting-edge advances of metal-based materials for renewable energy devices (e.g., fuel cells, solar cells, supercapacitors, and batteries) over the past decade.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhanced Switching Reliability of Hf 0.5 Zr 0.5 O 2 Ferroelectric Films Induced by Interface Engineering

Ferroelectric materials have been widely researched for applications in memory and energy storage. Among these materials and benefiting from their excellent chemical compatibility with complementary metal–oxide–semiconductor (CMOS) devices, hafnia-based ferroelectric thin films hold great promise for highly scaled semiconductor memories, including nonvolatile ferroelectric capacitors and transistors. However, variation in the switched polarization of this material during field cycling and a limited understanding of the responsible mechanisms have impeded their implementation in technology. Here, we show that ferroelectric Hf 0.5 Zr 0.5 O 2 (HZO) capacitors that are nearly free of polarization “wake-up”─a gradual increase in switched polarization as a function of the number of switching cycles─can be achieved by introducing ultrathin HfO 2 buffer layers at the HZO/electrodes interface. High-resolution transmission electron microscopy (HRTEM) reveals crystallite sizes substantially greater than the film thickness for the buffer layer capacitors, indicating that the presence of the buffer layers influences the crystallization of the film (e.g., a lower ratio of nucleation rate to growth rate) during postdeposition annealing. This evidently promotes the formation of a polar orthorhombic (O) phase in the as-fabricated buffer layer samples. Synchrotron X-ray diffraction (XRD) reveals the conversion of the nonpolar tetragonal (T) phase to the polar orthorhombic (O) phase during electric field cycling in the control (no buffer) devices, consistent with the polarization wake-up observed for these capacitors. The extent of T–O transformation in the nonbuffer samples is directly dependent on the duration over which the field is applied. Here these results provide insight into the role of the HZO/electrodes interface in the performance of hafnia-based ferroelectrics and the mechanisms driving the polarization wake-up effect.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interplay between Swelling Kinetics and Nanostructure in Perfluorosulfonic Acid Thin-Films: Role of Hygrothermal Aging

Impacts of processing, storage, and operation on thin-film perfluorosulfonic acid (PFSA) ionomer coatings used in electrodes of electrochemical devices remains unestablished. In this work, alteration of structure–function relationship in ionomers is achieved via exposure to elevated temperature and humidity (hygrothermal aging). Findings reflect a strong inverse correlation between aging-induced ionomer thin-film domain orientation and water-transport kinetics evaluated from swelling. Finally, impact of aging is shown to be more pronounced on platinum due to interactions with PFSA, as evidenced by greater increase in nanodomain orientation parallel to substrate accompanied by reduced water transport, in contrast to silicon support.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Efficient monolithic all-perovskite tandem solar modules with small cell-to-module derate

All-perovskite tandem solar modules are promising to reduce the cost of photovoltaic systems with their high efficiency and solution fabrication, but their sensitivity to air still imposes a great challenge. Here a hot gas-assisted blading method is developed to accelerate the perovskite solidification, forming compact and thick narrow bandgap (NBG) perovskite films. Adding a reduction agent into NBG films followed by a short period of air exposure and a post-fabrication storage surprisingly increases carrier recombination lifetime and enables laser scribing in ambient conditions without obvious loss of device performance. This combination suppresses tin and iodide oxidation and forms a thin SnO 2 layer on the NBG film surface. Monolithic all-perovskite tandem solar modules showed a champion efficiency of 21.6% with a 14.3 cm 2 aperture area, corresponding to an active area efficiency of 23.0%. Lastly, the very small cell-to-module derate of 6.5% demonstrates the advantage of a tandem monolithic structure for solar modules.

14 SOLAR ENERGY↗