Search NASA⌕ Search

SEARCH · Search NASA

Results for “Carbon structure”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Cellulose regulated lignin/cellulose-based carbon materials with hierarchical porous structure for energy storage

Lignin has gained extensive attention as an ideal carbon precursor due to its abundance and high carbon content. However, the agglomeration of lignin and additional corrosive and unrecyclable reagents in direct pyrolysis still limit the development of lignin-based porous carbons. Herein, a facile and eco-friendly strategy was proposed to fabricate hierarchical porous lignin/cellulose-based carbon materials (LCs). In the process, cellulose nanofibrils acted as the skeleton of the bio-aerogels, which supported lignin and benefit the preparation of the LCs. Moreover, the specific surface area and the graphitization degree of LCs can be regulated by varying the cellulose content. Without activation, the bio-based carbon material (LC30) had a high specific surface area of 1770 m 2 g –1 , which displayed high specific capacitance of 216.2 F g –1 at the current density of 0.5 A g –1 . The supercapacitor based on LC30 also showed outstanding energy density of 12.3 Wh kg –1 at the power density of 50 W kg –1 . The sustainable raw material, simple and harmless preparation process, and remarkable electrochemical performance enable LC30, a promising supercapacitor electrode for energy storage.

25 ENERGY STORAGE↗
DOE OSTI2022

Experimental study of crystallization fouling by calcium carbonate: Effects of surface structure and material

We report mitigation of crystallization fouling on heat transfer surface is crucial for developing highly efficient desalination techniques, because the tenacious and porous crystal layer can drastically deteriorate system efficiency. Surface modification is a potential approach to decrease scale formation and promote crystal removal, but some of the mechanisms between crystallization and substrate properties are still not fully understood. In this study, we use dual-angle microscopic visualization and image processing to quantify three-dimensional crystallization behavior and analyze the impact of surface structure and material. The transition of crystal size and distance with roughness and wettability are identified from statistical analysis. The determination of crystal porosity and effective thermal conductivity is enabled by visualized geometry and measured deposition mass. This study shed lights on potential strategies of surface modification to mitigate scaling in desalination by enhancing scale removal and localizing crystal growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Organic carbon feedbacks to soil structure in Profundihumic and Haplic Ferralsols in Campinas, Sao Paulo, Brazil

Increasing soil organic matter content coincides with increasing soil porosity and decreasing bulk density, but the mechanisms that lead to changes in soil structure are unclear. We quantified and compared soil characteristics across two contrasting soils (heavily weathered ferralsols in Brazil) to clarify the effects of organic matter content on soil porosity. We found that high organic matter content fosters higher biologic activity, including root growth and animal burrowing, which in turn increase soil porosity and decreases bulk density.This dataset includes soil physical, morophological, and chemical variables from 6 soil profiles were sampled in Campinas, Sa ̃o Paulo state, southeastern Brazil to 1 m depth. Sites are regenerated mixed savanna and rainforest in the protected area of Viracopos Airport in Campinas, lightly grazed by cattle.This dataset includes soil color, bulk density, texture (percent sand, silt, clay, and coarse fragments as well as class), soil pH, cation exchange capacity, C stock, C concentration, N stock, N concentration, delta 13C, Delta 14C, and soil porosity in Excel and csv format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Semimetallicity and electron-hole liquid in two-dimensional C and BN based compounds

Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetrahexcarbon [Carbon 137 (2018) 266] according to rational chemical rules, metallicity by trivial band inversion without band gap opening is induced. Additional substitution of remaining C atoms by BN dimers introduces no changes in the metallic properties. A series of isomorphous two-dimensional materials with isoelectronic structures derived by exchanging group IV elements exhibiting various band gaps is obtained. Dynamical stability is verified with phonon analysis and beyond the harmonic approximation with molecular dynamics up to room temperature. The semi-metallic compounds have well-nested pockets of carriers and are good candidates for the formation of an excitonic insulator.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Adsorption cooling system using carbon aerogel

A method includes forming a carbon aerogel on a substrate to produce a highly adsorptive structure. The carbon aerogel is characterized by having physical characteristics of in-situ formation on the substrate.

Baumann, Theodore F.↗
DOE OSTI2022

Performance and Economic Analysis of Organosolv Softwood and Herbaceous Lignins to Activated Carbons as Electrode Materials in Supercapacitors

In this work, yellow pine (YP, softwood) and switchgrass (SG, grass) lignins were extracted as a coproduct of an organosolv γ-valerolactone (GVL) biorefinery that also produces biofuels and furfural. The extracted lignins were converted to carbon precursors for synthesizing porous activated carbon electrodes for high energy-density supercapacitors. This research details the impact of lignin composition on the derived porous structures and electrochemical properties of activated carbons. Lignin precursors with various syringyl (S) to guaiacyl (G) contents were characterized using 31 P nuclear magnetic resonance (NMR) and two-dimensional 1 H‒ 13 C NMR. A two-step activation process, using steam and carbon dioxide as the activating agents, enabled the formation of porous carbons structures with high surface area. The capacitive behavior of supercapacitors was systematically characterized by cyclic voltammetry, charge-discharge cycling, and electrochemical impedance spectroscopy. The specific capacitance of YP and SG capacitors reached 367 and 221 F g −1 , respectively. Both types of capacitors demonstrated remarkably stable capacitance (capacitance retention >90%) along with excellent Coulombic efficiency (>99%) over 10,000 cycles. Compared to SG electrode, the better electrochemical performance achieved with YP electrodes was mainly due to shorter diffusion path, improved ionic mobility, and increased active surface area. The inexpensive lignin-based porous electrodes synthesized in this work can be used for various electrochemical devices for improved performance, decreased cost, and enhanced durability. This work also demonstrates that the selection of feedstock and appropriate processing conditions can tailor the structure of carbon composites for targeted applications. Techno-economic analysis indicates that YP and SG activated carbons can be produced at a minimum selling price of $8,493 and $6,670 per ton, respectively, which is competitive with the commercially available supercapacitor-grade activated carbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Reviving the carbon sink: The influence of moderate wind disturbance in a secondary temperate mixed forest

Global forests are increasingly exposed to climate-driven perturbations, which may in turn alter their climate mitigation potential. As tropical cyclones expand poleward due to climate warming, wind disturbances in temperate forests have become increasingly frequent. The consequences of moderate wind disturbances remain poorly understood, hindering efforts to quantify their role in the global carbon cycle. Here, we used 16 years of continuous eddy covariance and biometric measurements to investigate the impacts of moderate wind disturbances on the structure and carbon sink dynamics of a temperate forest in Northeast China. Following Typhoon Maysak in 2020, the mortality of large trees (particularly the aging pioneer species) increased ninefold, whereas that of small trees decreased by nearly half. Both stand basal area and leaf area index were reduced between 2019 and 2023, with aging pioneer tree species being more vulnerable than mid-to-late species to wind disturbances. Shifts in species composition altered the environmental sensitivity of forest carbon sink function. Unexpectedly, wind disturbances reversed the declining trends in net ecosystem production and ecosystem carbon use efficiency of this secondary forest. A novel composite structural indicator—the standardized leaf area index (the maximum leaf area supported by per basal area of the stand)—provided robust predictions (R 2 > 0.4) of carbon sink dynamics throughout the study period. The selective removal of less efficient pioneer trees accelerated succession and reversed the aging-related decline in forest carbon sink strength and carbon use efficiency. In conclusion, these findings highlight the potential role of moderate wind disturbances in enhancing forest carbon sink function and offer a framework for understanding, assessing, and predicting forest carbon dynamics under increasing disturbance frequencies driven by climate change.

Carbon sink↗
DOE OSTI2021

Long-Term Structural and Chemical Stability of Carbon Electrodes in Vanadium Redox Flow Battery

Predicting the performance decay in carbon electrodes is critical to maximizing the longevity of redox flow battery (RFB) systems. This study investigates the effect of long-term cycling (over 8000 cycles) on the structural and chemical evolution of carbon electrodes. We find that the microstructural aspects such as graphitic stacking order and interlayer spacing along with overall morphological construct remains largely unchanged even after the prolonged cycling process. Conversely, significant changes in surface chemistry such as evolution of functional groups and point defects are evident from our combined multimodal spectroscopic and computational analysis. The XPS and FTIR analysis reveals chemical absorption of chloride counter anions at point defects within graphitic surface. Additionally, our results suggest that vanadium cation plays an important role in counter anion-carbon surface interaction and subsequently the surface chemistry evolutions. Our findings provide insights about surface chemical evolution that is critical for predicting electrode performance and longevity of RFB.

Modachur Sivakumar, Bhuvaneswari↗
DOE OSTI2024

Analysis of the turbostratic structures in PAN-based carbon fibers with wide-angle x-ray diffraction

Carbon fiber (CF) is a versatile material renowned for its excellent mechanical, thermal, and electrical properties. Polyacrylonitrile (PAN)-based CFs dominate the market due to their high tensile strength, rendering them suitable for structural applications in a wide variety of applications ranging from sporting goods to aerospace. Over five decades of commercial development of PAN-based CF has resulted in a range of varieties with different tensile moduli and tensile strengths. The microstructures, nanostructures, and crystal structures of PAN-based CF play pivotal roles in the macroscale properties of this material. In particular, the crystal structure and crystallite orientation in CF is closely related to the mechanical properties. The crystal structure of PAN-based CF generally consists of turbostratic carbon, which is a disordered form of graphite, the characteristics of which can be effectively characterized in a bulk format through wide-angle x-ray diffraction (WAXD). In this work, we employed a three-part approach to the analysis of WAXD patterns collected from four intermediate modulus PAN-based CFs. The approach incorporates a Scherrer analysis, a Debye analysis, and an orientational analysis to provide precise estimates of crystallite sizes, crystallite distributions, and crystallite orientations with the fiber axis. Furthermore, the results presented here suggest that intermediate modulus PAN-based CF mostly consists of small turbostratic crystallites (<4 nm), with larger crystallites having increased orientation with the fiber axis. The results here imply the presence of curvature and/or wrinkling of the turbostratic layers within the CF structure.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Basin-Scale Structural Features Database: Spatial Datasets to Support Carbon Storage Resource Assessments

Presentation slides on &quot;Basin-Scale Structural Features Database: Spatial Datasets to Support Carbon Storage Resource Assessments&quot; for CCUS 2025 Annual Meeting. The Basin-Scale Structural Features database contains a series of basin-scale spatial datasets representing structural features, including faults, fractures, folds, and earthquakes. Designed to support carbon storage feasibility and resources assessments for Carbon Capture and Storage (CCS) projects, the database leverages publicly available data resources from authoritative sources (e.g. US Geological Survey, State Geologic Surveys), and aims to help users better understand basin-scale structural features, as well as potential data gaps in areas with sparse information.

basin scale↗
DOE OSTI2026

Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion (Final Scientific/Technical Report)

This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.

08 HYDROGEN↗
DOE OSTI2025

The developments in modifying functionality of lignin and its application in biocomposites

With the advancement of sustainable material innovations, renewable natural biopolymers are gradually replacing traditional metal and petroleum-based synthetic materials due to their environmental friendliness, biodegradability, and economic advantages. Lignin, the second most abundant natural aromatic polymer in the plant kingdom, has emerged as a key candidate raw material for the development of green polymer systems because of its unique phenylpropane unit network structure, high carbon content, and rich functional group characteristics. However, challenges such as the inherent structural complexity, chemical inertness, and uneven molecular weight distribution of lignin limit its direct application. By employing modification strategies such as chemical functionalization and physical regulation, researchers can precisely control its reactivity, thermal stability, and interfacial compatibility, enabling the preparation of high-performance lignin-based functional composites. Here, this paper systematically reviews the principles and methodological advancements in lignin's multi-dimensional modification technology. It analyzes the mechanisms by which various chemical and physical modification techniques enhance the mechanical properties, functional responsiveness, and environmental adaptability of materials, and discusses innovative applications in fields such as intelligent packaging, biomedical materials, and energy storage devices. Furthermore, this review addresses the key challenges encountered in the high-value transformation of lignin, with the aim of offering a theoretical framework and technical pathway for the transformative development of lignin from agricultural and forestry by-products to functional material platforms.

Functional composites↗
DOE OSTI2024

Carbon Nanospheres Loaded with Ir Single Atoms: Enhancing the Activity toward Formic Acid Oxidation by Increasing the Porosity

Theoretically, single-atom catalysts (SACs) offer 100 % atom utilization, making them strong candidates to replace expensive nanoparticles for catalysis. However, the structural supports used to anchor the SACs dramatically reduce the utilization efficiency of atoms ( i. e ., the percent of atoms actually accessible by reactants) by either encapsulating the SACs completely or creating severe diffusion limitation. Either of which leads to an overall low atom utilization and thus poor electrocatalytic activity similar to that of nanoparticles. In addressing this issue, we systematically investigated how the porous structure of carbon nanospheres affects the activity of Ir-SACs toward formic acid oxidation (FAO). Specifically, we utilized a kinetically-controlled growth strategy to produce uniform carbon nanospheres featuring yolk-shell, mesoporous, and hollow structures with Ir-SACs loaded throughout the structure. At a high specific surface area of 441 m 2 g -1 and exposed metal content of 1.82 wt %, the Ir-SACs based on mesoporous carbon nanospheres showed a remarkable FAO peak current density of 30.6 mA cm -2 , which was 283 and 46 times greater when benchmarked against the catalysts based on solid carbon nanospheres and 20 wt % Ir/C, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Carbonation of Alkaline Earth Metal Hydroxides: Structure across Nano- to Mesoscales

The conversion of gaseous CO 2 into a solid constitution through mineralization is an active area of carbon capture, and alkaline earth metal hydroxides (M(OH) 2 , M = Ca 2+ , Mg 2+ ) are frontrunners in this area. As model systems, nanolime samples are excellent templates for the study of this reaction. Here, we have examined these under ambient pressure conditions with controlled humidity and CO 2 . Utilizing a broad range of analytical methods, we first established the purity and structures of the selected materials. We then examined the structural changes due to carbonation, using infrared spectroscopy, X-ray scattering, and neutron scattering. The resulting structural changes are resolved from nanoscale to mesoscale and from early-stage to late-stage carbonation. Ca(OH) 2 and Mg(OH) 2 are found to behave quite differently. As expected from prior work, the carbonation of Ca(OH) 2 is kinetically favored. Further, our structure studies suggest this is due to a facile reaction at the fractal interface of the particles. From early- to late-stage carbonation, there is a consistent increase in the fractal roughness. This is in contrast to Mg(OH) 2 where the same surface evolves into a smooth conformal coating. For this material the major reacting component is at the mesoscale, suggesting globular particle growth or evolving macro-porosity. Because neutron scattering is sensitive to hydrogen content, we expected a significant change as M(OH) 2 evolves to MCO 3 . Such a change is found for Ca(OH) 2 but not for Mg(OH) 2 , providing evidence for the formation of hydrated carbonates for the later material. The formation of a conformal layer along with water-rich carbonate formation is an impediment to the use of Mg(OH) 2 for carbon capture. For energy-efficient carbon capture, it would be desirable to enhance carbonation rates for Mg(OH) 2 , and one possible route would be the use of anhydrous fluids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗