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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 163 records · Page 9
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DOE OSTI2025

Legacy Survey of Space and Time Data Preview 1: ss_source dataset type

The Legacy Survey of Space and Time Data Preview 1 (DP1) is the first release of data from the NSF-DOE Vera C. Rubin Observatory. It consists of raw and calibrated single-epoch images, co-adds, difference images, detection catalogs, and other derived data products. DP1 is based on 1792 science-grade optical/near-infrared exposures acquired over 48 distinct nights by the Rubin Commissioning Camera, LSSTComCam, on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile during the first on-sky commissioning campaign in late 2024. DP1 covers a total of approximately 15 sq. deg. over seven roughly equally-sized non-contiguous fields, each independently observed in six broad photometric bands, ugrizy, spanning a range of stellar densities and latitudes and overlapping with external reference datasets. This dataset is a subset of the full data release consisting of the ss_source dataset type. These are instantaneous physical parameters for moving objects at the time of every observation. This release contains 1 dataset of this type.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Legacy Survey of Space and Time Data Preview 1: SSObject searchable catalog

The Legacy Survey of Space and Time Data Preview 1 (DP1) is the first release of data from the NSF-DOE Vera C. Rubin Observatory. It consists of raw and calibrated single-epoch images, co-adds, difference images, detection catalogs, and other derived data products. DP1 is based on 1792 science-grade optical/near-infrared exposures acquired over 48 distinct nights by the Rubin Commissioning Camera, LSSTComCam, on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile during the first on-sky commissioning campaign in late 2024. DP1 covers a total of approximately 15 sq. deg. over seven roughly equally-sized non-contiguous fields, each independently observed in six broad photometric bands, ugrizy, spanning a range of stellar densities and latitudes and overlapping with external reference datasets. This dataset is a subset of the full data release consisting of a searchable catalog named SSObject. This catalog contains derived parameters for moving objects. This catalog contains 431 rows with 3 columns.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Combined speckle- and propagation-based single shot two-dimensional phase retrieval method

Single-shot two-dimensional (2D) phase retrieval (PR) can recover the phase shift distribution within an object from a single 2D x-ray phase contrast image (XPCI). Two competing XPCI imaging modalities often used for single-shot 2D PR to recover material properties critical for predictive performance capabilities are: speckle-based (SP-XPCI) and propagation-based (PB-XPCI) XPCI imaging. However, PR from SP-XPCI and PB-XPCI images are, respectively, limited to reconstructing accurately slowly and rapidly varying features due to noise and differences in their contrast mechanisms. Herein, we consider a combined speckle- and propagation-based XPCI (SPB-XPCI) image by introducing a mask to generate a reference pattern and imaging in the near-to-holographic regime to induce intensity modulations in the image. We develop a single-shot 2D PR method for SPB-XPCI images of pure phase objects without imposing restrictions such as object support constraints. It is compared against PR methods inspired by those developed for SP-XPCI and PB-XPCI on simulated and experimental images of a thin glass shell before and during shockwave compression. Reconstructed phase maps show improvements in quantitative scores of root-mean-square error and structural similarity index measure using our proposed method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Functional Principal Component Analysis of Radio–Optical Reference Frame Tie

The Gaia optical reference frame is intrinsically undefined with respect to global orientation and spin, so it needs to be anchored in the radio-based International Celestial Reference Frame (ICRF) to provide a referenced and quasi-inertial celestial coordinate system. The link between the two fundamental frames is realized through two samples of distant extragalactic sources, mostly active galactic nuclei and quasars, but only the smaller sample of radio-loud ICRF sources with optical counterparts is available to determine the mutual orientation. The robustness of this link can be mathematically formulated in the framework of functional principal component analysis using a set of vector spherical harmonics to represent the differences in celestial positions of the common objects. The weakest eigenvectors are computed, which describe the greatest deficiency of the link. The deficient or poorly determined terms are specific vector fields on the sphere that carry the largest errors of absolute astrometry using Gaia in reference to the ICRF. This analysis provides guidelines for the future development of the ICRF maximizing the accuracy of the link over the entire celestial sphere. A measure of the robustness of a least-squares solution, which can be applied to any linear model fitting problem, is introduced to help discriminate between reference frame tie models of different degrees.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The Impact of Slantwise Descending Dry Intrusions on the Marine Boundary Layer and Air-Sea Interface Over the ARM Eastern North Atlantic Site

Dry intrusions (DIs) are synoptic-scale slantwise descending airstreams from the midlatitude upper troposphere toward the boundary layer at lower latitudes. Typically occurring behind cold fronts, such intrusions of dry air often reach the boundary layer and cause its deepening, thereby affecting boundary-layer clouds. Although subsidence is generally an inherent feature of the subtropical marine boundary layer (MBL), it is unclear how the MBL reacts to the transient, dynamically distinct DI. In this study, reanalysis data were combined with observations from the Atmospheric Radiation Measurement Eastern North Atlantic (ENA) site (39.1 degrees N,28.0 degrees W) to characterize the impact of DIs on MBL characteristics and clouds. Specifically, an objective criterion is applied to the observations made during the winter months of 2016-2018 to identify the DI days from those before and following DIs, and reference periods without DIs. The analyses suggest substantial deepening of the well-mixed boundary layer accompanied by changes in the cloud, precipitation and thermodynamic properties during the DI events. During the DI, the lower troposphere cooled and dried substantially thereby inducing strong surface sensible and latent heat fluxes. All while a strong inversion builds up at the elevated MBL top affecting cloud occurrence. The results show DIs to affect the boundary layer and cloud structure at the ENA site similar to 21% of the time in winter months, with the response of the cloud fields to the DI-fronts substantially different than that to the non-DI fronts. Hence, the DI events should be considered while studying boundary layer and cloud processes in the region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

2020 Cost Analysis of Hydropower Options at Non-Powered Dams

This report provides a cost analysis of potential hydropower development for representative non-powered dam (NPD) sites in the United States. The overarching objective is to support the establishment of a basis for evaluating progress towards improving the competitiveness of new hydropower development for electricity generation. The representative sites, herein referred to as “reference sites”, were selected from sites with detailed water resource data to support the cost analysis. Facility designs, capital costs, plant generation and efficiency profiles, capacity factors, and levelized costs of energy (LCOE) are presented for the sites under baseline and near-term innovation cases. The baseline case represents facility configurations using technologies that are already widely applied in the hydropower industry, whereas near-term innovations are technologies likely to reach wide acceptance within the next 5 to 10 years. Cost savings in the near-term relative to the baseline are discussed to illustrate the potential benefits to the hydropower industry from research and development (R&D) and adoption of these innovations. Medium- to long-term innovation options expected from ongoing private and government R&D efforts are also highlighted but are not quantified in this report because of a current lack of complete information on these options. The key findings of the cost analysis in this study imply that near-term innovations could reduce the baseline costs of hydropower development at US NPD sites. Thus, if remaining R&D issues with these near-term innovations can be resolved within the next 5 to 10 years, industry-wide adoption of these technologies and improved competitiveness of NPD hydropower development can be expected. Specific key findings of the analysis include the following: 1) Potential installed capacity at the NPD sites evaluated in this study vary from 200 kW to 70 MW, representing two orders of magnitude variation across nearly 20 sites; 2) Capital costs, not including development costs, for the sites evaluated in this study vary from $2,200/kW to $34,000/kW but are below $12,000/kW for most sites; 3) Baseline LCOE estimates for lake dams are from $79/MWh to $790/MWh with most sites under $400/MWh, whereas estimates for lock dams are from $134/MWh to $289/MWh with most sites under $200/MWh; 4) Reductions in capital cost per kilowatt under the near-term innovation case are from −77% to −14% for lake dams and −21% to −2.1% for lock dams (excluding one site with a 14% increase in per-kilowatt capital costs); 5) Combined changes in capital costs and capacity factors in the near-term case relative to the baseline lead to reductions in LCOE of −71% to −14% for lake dams and −21% to −14% for lock dams; 6) Overall, LCOE reductions lead to 8 of the 18 sites under the near-term case having LCOE values below $150/MWh compared with only 2 of 18 sites in the baseline case.

13 HYDRO ENERGY↗
DOE OSTI2021

GNSS Installation at the ARM North Slope of Alaska Atmospheric Observatory Field Campaign Report

GRUAN, the Global Climate Observing System (GCOS) Reference Upper Air Network, is an international reference observing network of sites measuring essential climate variables above Earth's surface, designed to fill an important gap in the current global observing system. GRUAN’s objectives are to (1) provide long-term, high-quality climate records, (2) constrain and calibrate data from more spatially comprehensive global observing systems (including satellites and current radiosonde networks) and (3) fully characterize the properties of the atmospheric column.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Towards a NEAMS-based high-fidelity model of the MARVEL reactor

This report outlines the progress of Idaho National Laboratory in developing a high-fidelity and high-resolution model of the Microreactor Applications Research Validation and Evaluation reactor. The model was developed under the Nuclear Energy Advanced Modeling and Simulation microreactor application driver at Idaho National Laboratory. The overarching objective of this activity is the development of a high-fidelity multiphysics MARVEL model using NEAMS tools, and to verify and validate NEAMS tools against MARVEL reference simulation and experimental data, respectively. This is a unique opportunity to conduct multiphysics analysis on a soon-to-be-deployed microreactor. This multiphysics model developed under the NEAMS-funded INL microreactor application driver leverages three single-physics models coupled via the MOOSE’s MultiApp and Transfer systems. The latter systems enable in-memory data transfer between MOOSE-based and MOOSE-wrapped applications. The first single-physics model, that functions as main application, leverages Griffin to model the neutron transport in the core through the discontinuous finite element (DFEM) discrete ordinates solver (SN). Several optimization flags that were developed by the Griffin developer team were beta-tested to enhance the solver’s performance. These include the combined use of using_average_xs and update_averaged_xs_on that enable to avoid expensive on-the-fly cross sections evaluations at each linear iterations in favor of evaluations of the macroscopic cross sections at each Picard iteration. The second single-physics model uses BISON to handle solid heat transfer and asymptotic hydrogen redistribution analysis in the fuel. While the model returns consistent results for the temperature and hydrogen distribution in the fuel, a mismatch was noticed in the calculated temperature in the reflector due to the value of the gap conductance used in our model. Ongoing investigations are being performed to assess the origin of this discrepancy. Finally, the System Analysis Module (SAM) was used to model the flow of the sodium-potassium eutectic in the primary loop. A first verification was also performed showing good agreement in terms of mass flow rate and inlet temperature. All mesh files were generated using the MOOSE Reactor module, removing the need for external meshing tools. Notably, this workscope represents one of the initial applications of the MOOSE Reactor module for modeling highly irregular geometries. The use of the reactor module significantly streamlined the mesh generation process. The full multiphysics mode, that combines all the single physics models, was leveraged to conduct initial steady-state multiphysics simulations to compute power, and temperature distribution in the reactor. Initial testing was performed for transient simulations as well. In this case, the new checkpoint restart capability for eigenvalue calculations was tested showing the capability for streamlined restart of transient calculations. Future work will focus on improving the fidelity of the model by performing comprehensive code-to-code comparisons. For instance, the full-core Griffin neutronics model will be benchmarked against MCNP reference results, that were provided by the MARVEL design team. Additionally, the SAM T/H model will be verified against reference RELAP-5 results for selected accident scenarios. Besides code-to-code verification exercises, the model fidelity will be improved by replacing the single-channel SAM model with a more complex SAM-Pronghorn coupled model, in which the sub-channel capability is deployed to obtain radial temperature resolution in the coolant. This model will be developed in synergy with the NEAMS thermal hydraulics team.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

GNSS Installation at the ARM Southern Great Plains (SGP) Atmospheric Observatory Field Campaign Report

GRUAN, the GCOS Reference Upper Air Network, is an international reference observing network of sites measuring essential climate variables above Earth's surface, designed to fill an important gap in the current global observing system. GRUAN’s objectives are to (1) provide long-term, high-quality climate records, (2) constrain and calibrate data from more spatially comprehensive global observing systems (including satellites and current radiosonde networks), and (3) fully characterize the properties of the atmospheric column.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

GNSS Installation at the Eastern North Atlantic (ENA) Atmospheric Observatory Field Campaign Report

GRUAN, the Global Climate Observing System (GCOS) Reference Upper Air Network, is an international reference observing network of sites measuring essential climate variables above Earth's surface, designed to fill an important gap in the current global observing system. GRUAN’s objectives are to (1) provide long-term, high-quality climate records, (2) constrain and calibrate data from more spatially comprehensive global observing systems (including satellites and current radiosonde networks), and (3) fully characterize the properties of the atmospheric column.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Legacy Survey of Space and Time Data Preview 1: SSSource searchable catalog

The Legacy Survey of Space and Time Data Preview 1 (DP1) is the first release of data from the NSF-DOE Vera C. Rubin Observatory. It consists of raw and calibrated single-epoch images, co-adds, difference images, detection catalogs, and other derived data products. DP1 is based on 1792 science-grade optical/near-infrared exposures acquired over 48 distinct nights by the Rubin Commissioning Camera, LSSTComCam, on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile during the first on-sky commissioning campaign in late 2024. DP1 covers a total of approximately 15 sq. deg. over seven roughly equally-sized non-contiguous fields, each independently observed in six broad photometric bands, ugrizy, spanning a range of stellar densities and latitudes and overlapping with external reference datasets. This dataset is a subset of the full data release consisting of a searchable catalog named SSSource. This catalog contains instantaneous physical parameters for moving objects at the time of every observation. This catalog contains 5,988 rows with 23 columns.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Cutting-Edge Operations Concepts: Intelligent Infrastructure, Cooperative Driving, Signal Control, and Curbside Management

The objective of this breakout session at the NREL Mobility workshop was to examine emerging traffic operations concepts built on key detection technology such as radars, lidars, and imaging recognition - and identify challenges and paths forward to integrate into our current roadway system. The key objective were to identify the opportunities for intelligent infrastructure to support near-term safety, equity, energy, and congestion mitigation goals, while supporting longer term connected-automated vehicle objectives. In the plenary session, Eric Raamot, from the USDOT Highly Automated Safety Systems Office challenged the participants to think broadly about the roll of standards and reference architecture to provide both an accelerated rollout of intelligent infrastructure, but also a repeatable and supportable framework upon which many infrastructure owners and operators (IOOs) could utilize for their implementation purposes.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Dataset of U.S. School Bus Depots

A large body of public health literature describes how undesirable or dangerous facilities, such as truck depots and industrial plants, located in or near communities can lead to health harms. Research also describes the high levels of traffic-related air and noise pollution that is linked to health harms and may be disproportionately distributed near many schools. Therefore, a primary use case for this dataset is to analyze the location of school bus depots and to create an evidence base that would better enable the work of community members, advocates, and other stakeholders toward improving air quality and public health. Other possible uses for this school bus depot dataset include electricity grid planning and reliability, given recent momentum toward school bus electrification. This dataset was created using an object-based approach with remote sensing data. The primary source of aerial imagery was the National Agriculture Imagery Program (NAIP) dataset. NAIP imagery was analyzed to locate individual school buses based on their color and size, and then classified clusters of school buses as potential depots, which were then verified visually. The resulting dataset contains 11,309 depots across the 48 contiguous U.S. states and Washington, D.C. Fifty-one percent (5,730 depots) are at schools, defined as being 350 meters or less from the nearest school. The accuracy of the dataset was assessed by comparing it with independent reference datasets containing 506 depots from the records of two school transportation companies. We found good agreement, with an omission error rate of 15.2% (77 depots). This dataset represents one of the only remote sensing projects to conduct object detection using data at the sub-meter to 1-meter resolution for a continental-scale application.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Development of a Technical, Economic, and Risk Assessment Tool for the Evaluation of Work Reduction Opportunities

Efficient and cost-effective operation of a nuclear power plant (NPP) is essential to ensuring long-term economical and safe operation. Multiple cost saving opportunities exist, referred to here as work reduction opportunities (WRO). These WROs reduce plant operating costs by employing various cost-effective strategies (e.g., implementation of modern technologies). Identifying and objectively screening WROs is an essential task to help reduce overall costs. However, there is no comprehensive framework for assessing WROs in the nuclear industry and evaluating their impact on plant operations. This report presents a novel framework for systematically evaluating WROs from a technical, economic, and risk perspective. As NPPs continue to add new technology and implement modernization strategies into their current processes, potential WROs are commonly identified. Although most WROs have the potential to reduce costs, not all opportunities will result in significant cost savings due to unforeseen risks, large implementation costs, or benefits that fall short of expectations. Examples of this can be the result of a technology that is not fully developed, uncertainty in the amount of cost reduction, or difficulties introducing a new process into an organization. These uncertainties can manifest several ways and can result in a WRO with limited cost savings or even a loss of investment. The framework developed emphasizes the importance of effectively screening the WROs from a holistic perspective to objectively identify inefficiencies and ensure a positive impact to the organization. This report presents the Technical, Economic, and Risk Assessment (TERA) as a key methodology for the screening and evaluation of potential WROs. The TERA framework begins with a screening phase where the process is examined through a hybrid combination of Lean Six Sigma and Integrated Operations for Nuclear (ION) guiding principles. This framework examines the current processes using the Lean Six Sigma SIPOC (Suppliers, Inputs, Process, Outputs, Consumers) methodology but retains the ION key elements of People, Technology, Process, and Governance as important factors to the nuclear decision-making process. By combining the principles of Lean Six Sigma and ION, the developed screening process is specific to the nuclear industry in that it systematically evaluates WROs in order to implement new technology that is comprehensively evaluated. The TERA begins by mapping current processes as they relate to WROs and examining the inefficiencies. Furthermore, the created process map can be used to identify and evaluate potential solutions. Using key performance indicators (KPIs), the TERA evaluates each area—technology, economics, and risk—for uncertainties and to perform cost-benefit analysis. The results of the TERA are important KPIs that allow for an evaluation of different processes and technology implementations. This assessment enables decision-makers to compare various WROs based on metrics and then make informed decisions for which opportunity to implement first. This research includes not only the creation of the TERA framework, but also the evaluation of its performance. A case study for screening potential WROs at Southern Nuclear Company is presented that utilizes the TERA methodology. Through the use of TERA, various WROs were screened, and the solutions evaluated for cost-benefit expectations. The report concludes by summarizing the overall effort and implications for utility modernization. The performance of the screening and TERA are discussed as well as the impact on the nuclear industry. The TERA process enables utilities to evaluate and inform investment decisions for WROs and mitigate any potential risks. Through this research, we provide utilities with a valuable framework to optimize operations, reduce costs, and drive continuous process improvement.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Western States Building Energy & Controls Apprenticeship (BECA) Program

How does this project help to understand the challenges of workforce development in the commercial building energy management industry? The purpose of this project was to create a replicable, scalable, and portable apprenticeship program for building energy management and controls. This paper will demonstrate how local processes can be more adaptable and inclusive than federal processes in achieving workforce development goals. Our work provides insights into the technical effectiveness of the program, enabling others to achieve greater success in their workforce development initiatives. The project required more time and financial resources than initially anticipated and spent a year in a no-cost extension working to accomplish the Statement of Project Objectives. The original goal was to create an Industry Related Apprenticeship Program (IRAP). The development of this apprenticeship presented challenges due to the lack of existing programs for reference and the absence of relevant industry classification codes by the Department of Labor (DOL). Notably, the role of a commercial building energy analyst is not recognized by the DOL. The SIC (industry codes) do not have a good description of this job. There are many that may fall into related categories, but none are the actual duties of an energy analyst. Discussions with the DOL indicated that substantial groundwork was necessary before a national apprenticeship program could be implemented, causing delays in the program’s commencement. As a result, students experienced longer wait times before starting their apprenticeship component. The apprenticeship program officially launched on September 14, 2021. The success of the State of Oregon’s apprenticeship program, the first of its kind in the state, underscored the flexibility and effectiveness of local initiatives compared to federal efforts. The COVID-19 pandemic also significantly impacted the project’s success. Beginning in March 2020, the pandemic led to widespread closures of schools and colleges by fall 2020. By September 2021, when the apprenticeship option became available, enrollment in colleges and universities nationwide had decreased, affecting student participation in the program. Moreover, as employers transitioned their employees to remote work, there was limited interaction with external personnel, influencing the willingness of training agents (employers) to integrate additional workers into their teams. This paper addresses several challenges encountered during the project, with the hope that future workforce development efforts will benefit from these experiences. We Final Technical Report 4 | Page encourage others to engage with state and federal agencies to enhance and update pathways for workforce development and apprenticeship programs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Legacy Survey of Space and Time Data Preview 1: DiaObject searchable catalog

The Legacy Survey of Space and Time Data Preview 1 (DP1) is the first release of data from the NSF-DOE Vera C. Rubin Observatory. It consists of raw and calibrated single-epoch images, co-adds, difference images, detection catalogs, and other derived data products. DP1 is based on 1792 science-grade optical/near-infrared exposures acquired over 48 distinct nights by the Rubin Commissioning Camera, LSSTComCam, on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile during the first on-sky commissioning campaign in late 2024. DP1 covers a total of approximately 15 sq. deg. over seven roughly equally-sized non-contiguous fields, each independently observed in six broad photometric bands, ugrizy, spanning a range of stellar densities and latitudes and overlapping with external reference datasets. This dataset is a subset of the full data release consisting of a searchable catalog named DiaObject. This catalog contains derived properties for transient and variable objects. This catalog contains 1,089,818 rows with 137 columns.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A Functional Reference Architecture and Assessment Thereof for the National Ignition Facility Industrial Controls Systems

The Industrial Control System (ICS) at the National Ignition Facility (NIF) has an effective, well-established architecture based off a conventional cyclical software paradigm focused on maintainability and the identification of issues. This architecture exhibits scalability in ensuring expansions of the system conform to the existing architecture, modularity enough to allow relatively easy integrations of such expansions and works as a successful tool to introduce control system engineers new to the NIF ICS to the structure of the system at each layer. This architecture, like most software architectures, is object-oriented, lending itself to ease of understanding by control systems engineers and software engineers familiar with an object-oriented perspective. There are occasions, however, where engineers of other disciplines require insight into the functionality and structure of the ICS for the purposes of understanding fundamentally how their own system is or will be governed by the ICS, without the need for the details of operation of the ICS or the object-oriented view. For this reason, a functional architecture of the ICS could be a potent tool for communicating this insight. Even more powerful, a generalization of this proposed functional ICS architecture in the form of a National Ignition Facility and Photon Science (NIF & PS) Industrial Controls Reference Architecture could communicate this insight not just to systems governed by the ICS in the NIF proper, but across entirety of the NIF & PS Principal Associate Directorate (PAD), anywhere an instance of the ICS architecture is present, such as the approximately 40 “small labs” distributed across the directorate. Such a tool will provide an alternative means of understanding the implementation of these control systems, conducive to a larger variety of engineering and scientific disciplines.

42 ENGINEERING↗
DOE OSTI2021

Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): relationships among molecular orbital symmetry, lattice symmetry, and electronic-structure characteristics

Two-dimensional covalent organic frameworks (2D-COFs), also referred to as 2D polymer networks, display unusual electronic-structure characteristics, which can significantly enrich and broaden the fields of electronics and spintronics. In this Focus article, the objective of this report is to lay the groundwork for the conceptual description of the fundamental relationships among the COF electronic structures, the symmetries of their 2D lattices, and the frontier molecular orbitals (MOs) of their core and linker components. We focus on monolayers of hexagonal COFs and use tight-binding model analyses to highlight the critical role of the frontier-MO symmetry, in addition to lattice symmetry, in determining the nature of the electronic bands near the Fermi level. We rationalize the intriguing feature that, when the core unit has degenerate highest occupied MOs [or lowest unoccupied MOs], the COF highest valence band [or lowest conduction band] is flat but degenerate with a dispersive band at a high-symmetry point of the Brillouin zone; the consequences of having such band characteristics are briefly described. Multi-layer and bulk 2D COFs are found to maintain the salient features of the monolayer electronic structures albeit with a reduced bandgap due to the interlayer coupling. This Focus article is thus meant to provide an effective framework for the engineering of flat and Dirac bands in 2D polymer networks.

36 MATERIALS SCIENCE↗