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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Measuring the Exciton Binding Energy: Learning from a Decade of Measurements on Halide Perovskites and Transition Metal Dichalcogenides

The exciton binding energy ( E b ) is a key parameter that governs the physics of many optoelectronic devices. At their best, trustworthy and precise measurements of E b challenge theoreticians to refine models, are a driving force in advancing the understanding of a material system, and lead to efficient device design. At their worst, inaccurate E b measurements lead theoreticians astray, sow confusion within the research community, and hinder device improvements by leading to poor designs. Here, this review article seeks to highlight the pros and cons of different measurement techniques used to determine E b , namely, temperature‐dependent photoluminescence, resolving Rydberg states, electroabsorption, magnetoabsorption, scanning tunneling spectroscopy, and fitting the optical absorption. Due to numerous conflicting E b values reported for halide perovskites (HP) and transition metal dichalcogenides (TMDC) monolayers, an emphasis is placed on highlighting these measurements in an attempt to reconcile the variance between different measurement techniques. It is argued that the experiments with the clearest indicators are in agreement on the following values: ≈350–450 meV for TMDC monolayers between SiO 2 and vacuum, ≈150–200 meV for hBN‐encapsulated TMDC monolayers, ≈200–300 meV for common lead‐iodide 2D HPs, and ≈10 meV for methylammonium lead iodide.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tuning Strong Metal–Support Interactions via Synergistic Alloying

The encapsulation phenomenon associated with strong metal-support interaction (SMSI) has been largely restricted to catalyst systems consisting of group VIII metals with high surface energy and reducible transition metal oxide supports with low surface energy. Here, we demonstrate an encapsulation phenomenon that, while sharing morphological similarities with conventional SMSI, follows a distinctive pathway. This is shown by the encapsulation of CuAu nanoparticles (NPs) supported on highly ordered pyrolytic graphite (HOPG). Through dynamic monitoring of Cu, Au, and Cu 50 Au 50 NPs in an oxidizing atmosphere using ambient-pressure X-ray photoelectron spectroscopy, we show that this spontaneous encapsulation is achieved through the synergistic effect of the alloying elements. Specifically, the surface segregation of Cu promotes dissociative O 2 adsorption, leading to the formation of atomic O species, while the subsurface enrichment of Au hinders O incorporation into the bulk of CuAu NPs. Consequently, O spillover onto the graphite support occurs, resulting in the oxidation of the HOPG surface into graphitic oxide species. The higher affinity of the graphitic oxide species toward the Cu-segregated surface prompts their migration from the HOPG support to encapsulate the CuAu NPs. Finally, these results transcend the conventional SMSI and bear practical implications for the design and development of heterogeneous catalysts, particularly in carbon-supported alloy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Encouraging voluntary government action via a solar-friendly designation program to promote solar energy in the United States

Sustainable development requires an accelerated transition toward renewable energy. In particular, substantially scaling up solar photovoltaics (PV) adoption is a crucial component of reducing the impacts of climate change and promoting sustainable development. However, it is challenging to convince local governments to take action. This study uses a combination of propensity score matching (PSM) and difference-in-differences (DID) models to assess the effectiveness of a voluntary environmental program (VEP) called SolSmart that targets local governments to engage in solar-friendly practices to promote the local solar PV market in the United States. Via specific designation requirements and technical assistance, SolSmart simplifies the process of acting on interest in being solar friendly, has a wide coverage of basic solar-friendly actions with flexible implementation, and motivates completion with multiple levels of designation. We find that a local government’s participation in SolSmart is associated with an increased installed capacity of 18 to 19%/mo or with less statistical significance, an increased number of installations of 17%/mo in its jurisdiction. However, SolSmart has not shown a statistically significant impact on soft cost reductions to date. In evaluating the impact of the SolSmart program, this study improves our understanding of the causation between a VEP that encourages solar-friendly local government practices and multiple solar market outcomes. VEPs may be able to promote shifts toward sustainable development at the local level. Our findings have several implications for the design of VEPs that promote local sustainability.

14 SOLAR ENERGY↗
DOE OSTI2022

Electricity demand in South Asia – data gaps and pathways for research and modeling

South Asia is one of the fastest growing regions - economically and energy-wise in the world. However, there are significant uncertainties in how the energy demand would grow given the rapidly rising incomes, urbanization, industrialization, access to energy, warming climate and technological change. The transition to clean energy in the region is a priority and is critical to limiting emissions in the region and increasing regional energy security. The power sector will play an important role in decarbonization of energy systems, lowering emissions in other sectors through electrification. However, as existing end uses are scaled up more and new end uses are electrified, the temporal and spatial patterns of electricity consumption could change. These changes have implications for the magnitude, shape, and timing of peak demand, which in turn affects the power sector’s investments and operations, and ability to provide reliable power. In this report, we outline key uncertainties in demand growth that South Asian countries would face in the near to medium term, along with summarizing insights from stakeholder consultations we held over the past 6 months.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Dynamic tunability of phase-change material transition temperatures using ions for thermal energy storage

Thermal energy storage (TES) based on phase-change materials (PCMs) has many current and potential applications, such as climate control in buildings, thermal management for batteries and electronics, thermal textiles, and transportation of pharmaceuticals. Despite its promise, the adoption of TES has been limited, in part due to limited tunability of the transition temperature, which hinders TES performance for varying use temperatures. Transition temperature tuning of a material using an external stimulus, such as pressure or an electric field, typically requires very large stimuli. To circumvent this problem, here, we report on the dynamic transition temperature tunability of a PCM using ions. We achieve a transition temperature tunability up to 6°C in polyethylene glycol (PEG) by using the salt lithium oxalatodifluoroborate at a low voltage of 2.5 V, which may enable simpler and safer devices/system designs. We also explain the thermal properties of the salt/PCM solution using the Flory-Huggins theory.

25 ENERGY STORAGE↗
DOE OSTI2020

A phase transition model and temporal logic specifications for smart energy systems - revisited

In this paper, we revisit the method of a phase transition model for representing hybrid systems and temporal logic specifications (TLSs) for specifying desired behaviors of systems, and discuss their usefulness for smart energy systems. On the one hand, the phase transition model incorporates the continuous model of the relay device action with a particular structural form that allows for the construction of a single, global differential-algebraic equation for hybrid systems (thus smoothed hybrid systems). On the other hand, the TLS allows sophisticated descriptions of control specifications addressing both magnitude and time simultaneously, which has recently been applied to the control strategy of several types of continuous and hybrid systems. We provide high-level descriptions of each of the two techniques and present simulation results in the context of smart energy systems.

Park, Byungkwon↗
DOE OSTI2020

Defect Energetics in Pseudo-Cubic Mixed Halide Lead Perovskites from First-Principles

Owing to the increasing popularity of lead-based hybrid perovskites for photovoltaic (PV) applications, it is crucial to understand their defect energetics and its influence on their optoelectronic properties. In this work, we simulate various point defects in pseudocubic structures of mixed iodide-bromide and bromide-chloride methylammonium lead perovskites with the general formula MAPbI 3-y Br y or MAPbBr 3-y Cl y (where y is between 0 and 3), and use first-principles based density functional theory computations to study their relative formation energies and charge transition levels. We identify vacancy defects and Pb on MA antisite defect as the lowest energy native defects in each perovskite. Here, we observe that while the low energy defects in all MAPbI 3-y Br y systems only create shallow transition levels, the Br or Cl vacancy defects in the Cl-containing pervoskites have low energy and form deep levels which become deeper for higher Cl content. We examine the structures and density of states of pure and defect-containing perovskite systems to obtain an understanding of the nature of defect levels. Further, we study extrinsic substitution by different elements at the Pb site in MAPbBr 3 , MAPbCl 3 , and the 50-50 mixed halide perovskite, MAPbBr 1.5 Cl 1.5 , and identify some transition metals that create lower energy defects than the dominant intrinsic defects and also create midgap charge transition levels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantifying Energy Storage Density Utilization Trends in Redox Flow Battery Chemistries

The transition to new energy resources is driving the need for efficient energy storage. Redox flow batteries (RFBs) are a promising solution due to their flexible design and safer materials, particularly for long-duration storage applications. Despite these advantages, RFB technologies still have considerable room for growth in terms of utilizing all of their available energy storage density. Herein, we assess RFB energy storage density utilization trends for multiple chemistries by accounting for their unique thermodynamic limits, energy efficiencies, and charge capacity constraints. Of the RFBs chemistries analyzed, most still use less than 60% of their theoretical energy storage capacity. The conventional all-vanadium RFB was the closest to its thermodynamic limit available. Moreover, the volumetric footprint and electrolyte cost analyses demonstrate the real-world implications of these inefficiencies. This analysis further indicates that future studies would benefit from clearer reporting of two key quantities: discharge efficiency, which is more directly tied to practically recoverable energy density than round-trip energy efficiency, and state-of-charge or capacity-utilization limits, which govern access to theoretical storage capacity. More consistent reporting of these factors would improve the accuracy and comparability of energy storage utilization analyses across RFB chemistries.

battery energy storage↗
DOE OSTI2026

Band-mixing effects in one-dimensional charge transfer insulators

The low-energy properties of transition metal oxides (TMOs) are governed by the electrons occupying strongly correlated $d$-orbitals that are hybridized with surrounding ligand oxygen $p$ orbitals to varying degrees. Their physics is thus established by a complex interplay between the transition-metal (TM)-ligand hopping $t$, charge transfer energy $\Delta_\mathrm{CT}$, and on-site TM Hubbard repulsion $U$. Here, we study the spectral properties of a one-dimensional (1D) analog of such a $pd$ system, with alternating TM $d$ and ligand anion $p$ orbitals situated along a chain. Using the density matrix renormalization group method, we study the model's single-particle spectral function, x-ray absorption spectrum, and dynamical spin structure factor as a function of $\Delta_\mathrm{CT}$ and $U$. In particular, we present results spanning from the Mott insulating ($\Delta_\mathrm{CT} > U$) to negative charge transfer regime $\Delta_\mathrm{CT} < 0$ to gain a better understanding of the ground and momentum-resolved excited state properties of these different regimes. Our results can guide new studies on TMOs that seek to situate them within the Mott-Hubbard/charge transfer insulator classification scheme.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2000

Estimating Cosmic Ray Spectral Parameters From Simulated Detector Responses With Detector Design Implications

A simple power law model consisting of a single spectral index alpha (sub 1), is believed to be an adequate description of the galactic cosmic ray (GCR) proton flux at energies below 10(exp 13) eV, with a transition at knee energy E(sub k) to a steeper spectral index alpha(sub 2) greater than alpha(sub 1) above E(sub k). The maximum likelihood procedure is developed for estimating these three spectral parameters of the broken power law energy spectrum from simulated detector responses. These estimates and their surrounding statistical uncertainty are being used to derive the requirements in energy resolution, calorimeter size, and energy response of a proposed sampling calorimeter for the Advanced Cosmic ray Composition Experiment for the Space Station (ACCESS). This study thereby permits instrument developers to make important trade studies in design parameters as a function of the science objectives, which is particularly important for space-based detectors where physical parameters, such as dimension and weight, impose rigorous practical limits to the design envelope.

Howell, L. W.↗
NASA NTRS2001

Estimating Cosmic-Ray Spectral Parameters from Simulated Detector Responses with Detector Design Implications

A simple power law model consisting of a single spectral index (alpha-1) is believed to be an adequate description of the galactic cosmic-ray (GCR) proton flux at energies below 10(exp 13) eV, with a transition at knee energy (E(sub k)) to a steeper spectral index alpha-2 > alpha-1 above E(sub k). The maximum likelihood procedure is developed for estimating these three spectral parameters of the broken power law energy spectrum from simulated detector responses. These estimates and their surrounding statistical uncertainty are being used to derive the requirements in energy resolution, calorimeter size, and energy response of a proposed sampling calorimeter for the Advanced Cosmic-ray Composition Experiment for the Space Station (ACCESS). This study thereby permits instrument developers to make important trade studies in design parameters as a function of the science objectives, which is particularly important for space-based detectors where physical parameters, such as dimension and weight, impose rigorous practical limits to the design envelope.

Howell, L. W.↗
DOE OSTI2022

Advancing Clean Energy Equity

This year’s Financial Innovations Roundtable (June 16-17, 2022) focused on advancing clean energy equity and was co-hosted by the University of New Hampshire's Carsey School of Public Policy and the Federal Reserve Bank of New York. Clean energy technologies are better than ever, with costs continuing to decline. Yet the low-income and under-resourced communities – particularly communities of color, Native communities, and other traditionally marginalized populations – that are disproportionately impacted by climate and severe weather-related events lag in clean energy investments. Community Development Financial Institutions (CDFIs) have a long track record of providing access to capital to low- and moderate-income communities nationwide. Green Banks, established at state and local levels, use innovative financing to attract private capital and incentivize investments in clean and renewable energy. Together, the nation's network of more than 1,300 CDFIs and 21 Green Banks have the financing expertise and deep market understanding and relationships to finance a transition to clean energy. This event explored how Green Banks and CDFIs can funnel creditworthy projects to market and efficiently raise capital for them. Building on the Carsey School White Paper, Clean Energy Project Development for Low-Income Communities: Strengthening the Ecosystem for Delivering Solar Energy and Deep Efficiency Retrofits (Hangen, 2022), the FIR sought to identify options and create opportunities for Green Banks, CDFIs, and impact investors to collaborate in offering a range of products, approaches, and tools to better serve communities and individuals who have thus far been left out of the transition to clean energy. The event had 101 participants from a variety of sectors including CDFIs, Green Banks, mission-driven clean energy organizations, government agencies, banks, and impact investment professionals.

14 SOLAR ENERGY↗
DOE OSTI2020

Spin excitations in the frustrated triangular lattice antiferromagnet NaYbO 2

In this work, we present a neutron scattering-based study of magnetic excitations and magnetic order in NaYbO 2 under the application of an external magnetic field. The crystal electric field-split J = 7=2 multiplet structure is determined, revealing a mixed |m z $\rangle$ ground state doublet and is consistent with a recent report Ding et al. Our measurements further suggest signatures of exchange effects in the crystal field spectrum, manifested by a small splitting in energy of the transition into the first excited doublet. The field-dependence of the low-energy magnetic excitations across the transition from the quantum disordered ground state into the fluctuation driven ordered regime is analyzed. Signs of a first-order phase transition into a noncollinear ordered state are revealed at the upper-field phase boundary of the ordered regime, and higher order magnon scattering, suggestive of strong magnon-magnon interactions, is resolved within the previously reported up-up-down phase. Our results reveal a complex phase diagram of field-induced order and spin excitations within NaYbO 2 and demonstrate the dominant role of quantum fluctuations cross a broad range of fields within its interlayer frustrated triangular lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Employment access assessed using the mobility energy productivity (MEP) metric

Transit agencies, local governments, employers, and job-seekers have a shared interest in connecting residents with jobs in an affordable and time efficient manner, with public agencies also caring about energy efficiency and air quality. Employment hubs are an opportunity to solve the spatial mismatch between homes of job-seekers and the locations of desirable jobs. Such is the case in Columbus, Ohio, between Rickenbacker Industrial Park and the Linden neighborhood, which has experienced persistent poverty. Using the mobility energy productivity (MEP) metric to examine travel time, cost, and energy efficiency, we show current transit service is undesirable due to excessive travel time (70 min, MEP = 0), while driving alone (MEP = 0.20) may be less desirable than a hypothetical, fare-free microtransit service (MEP = 0.23). Updating MEP to use locally-derived input data can help identify parameters under which providing microtransit service in a specific place has compelling benefits in terms of vehicle energy efficiency as well as cost and travel time for riders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Resilience framework and metrics for energy master planning of communities

Changes in the nature, intensity, and frequency of climate-related extreme events have imposed a higher risk of failure on energy systems, especially those at the community level. Furthermore, the evolving energy demand patterns and transition towards renewable and localised energy supply can affect energy system resilience. How can an energy system be planned and reconfigured to address these challenges without compromising the system's resilience against chronic stresses and extreme events? Unlike energy system reliability, resilience is neither a common nor an explicit consideration in energy master planning at the community level. In addition, there is no universally agreed-upon method or metrics for measuring or estimating resilience and defining mitigation strategies. This paper introduces a multi-layered energy resilience framework and set of metrics for energy master planning of communities, including the new generation of district energy systems. The potential system disturbances and their short and long-term impacts on various components of the energy system are discussed for commonly expected and extreme events. Three layers of energy resilience are discussed: engineering-designed resilience, operational resilience, and community-societal resilience. A starting set of energy resilience metrics to support engineering design and energy master planning for communities is identified. Implications for future research and practice are noted.

24 POWER TRANSMISSION AND DISTRIBUTION↗