Search NASA⌕ Search

SEARCH · Search NASA

Results for “Nanomaterial functionalization”

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 307 records · Page 17

Modeling phonons in nanomaterials

The vibrational properties of nanomaterials play fundamentally important roles in determining their stability and various functionalities, from rippling of otherwise flat two-dimensional (2D) monolayers to the extreme thermal transport behaviors observed in one-dimensional (1D) and 2D carbon-based systems. Here we discuss modeling efforts to understand how phonons in lower dimensional materials differ from those in bulk, and how these behaviors manifest in their unusual properties. In particular, this chapter gives a heavy focus to calculations of phonon dynamics, interactions, and lattice thermal transport in 1D chains and nanotubes, 2D monolayers, and van der Waals coupled bulk materials from first principles methods. This chapter will discuss important phonon calculation details related to nanomaterials with examples and discussions providing both historical and modern perspectives.

Lindsay, Lucas↗

Calcium-triggered fusion of lipid membranes is enabled by amphiphilic nanoparticles

Significance Lipid membrane fusion is a critical component of biological transport, communication, and developmental processes. The fusion reaction is kinetically constrained since it contains multiple large energy barriers, so proteins and ions are used by natural systems to intervene and catalyze the reaction toward biologically relevant timescales. Here, we demonstrate how amphiphilic nanoparticles can prime lipid membranes for fusion so that complete fusion proceeds only upon exposure to an excess of calcium or other stimulus that would stress the outer leaflet. This is a major advance in the nascent field of controlled fusion and may unlock new avenues of research on how nanomaterials can be designed from first principles to perform targeted functional roles in biological systems.

59 BASIC BIOLOGICAL SCIENCES↗

Hydration Mechanisms in Nanoparticle Interaction and Surface Energetics

Work on the project advanced molecular level understanding, prediction and control of nanoscale hydration in salt solutions under electric stimuli or ionic patterning. Permeation of nanoporous electrodes at preset voltage underlies the function of ultracapacitors. Transitory regulation of wetting in nanoporous media by electric field spans an array of applications in materials, energy storage, and separation sciences. The physically related modulation of nanoparticle solubility by surface charges can significantly extend the range of the nanomaterial applications, improve processing techniques, and potentially alleviate environmental concerns. Pore/solution equilibria, and activated kinetics of liquid gating by nanoconfined electrolytes are challenging problems at the forefront of experimental and theoretical research. Addressing these problems from a molecular perspective required the development of state-of-the-art simulation algorithms in statistical mechanics to capture complex processes in open systems under electric control. Parallel studies of wetting and dispersibility of polar and ionizing particles aim to uncover predictive relations between electrowetting, chemical functionalization, and geometry of nanomaterial particles. By nonequilibrium dynamic modeling, we elucidated electrolyte flow in nanochanels and associated electrokinetic energy conversion. Research on the program provided training opportunities for the next generation of scientists in computational chemistry. Insights, and methods from the project implicate broad segment of researchers in energy and nanosciences, materials and surface chemistry.

74 ATOMIC AND MOLECULAR PHYSICS↗

Nitrogen-doped graphene nanomaterials for electrochemical catalysis/reactions: A review on chemical structures and stability

The electronic structure of the carbon-based nanomaterials can be modulated by doping heteroatoms into them. When nitrogen is doped into the graphene structure with different bonding configurations, it changes the material's electronic properties in a variety of ways. Because of the tuned electronic properties, nitrogen-doped graphene (N-G) is applicable in electrochemical systems as catalyst. Despite having tremendous prospects, a holistic view of the structural and functional properties of N-G is still unclear. Moreover, to our knowledge, significant findings on the properties of N-G are not well documented yet, which creates an obstacle to the further improvement of this nanomaterial. Keeping our focus on the catalytic activities, in this paper, we presented an in-detailed review of the overall chemical structure and functional properties of N-G nanomaterials. Starting from the structural properties of major precursor materials for N-G synthesis, we reviewed the physical features and its dependence on the synthesis parameters. Also, a detailed study has been conducted on the key nitrogen functional groups' structural properties, favorable formation environment, influence on the electronic structure of N-G, and role in the catalytic activity. Finally, current progress on the stability of N-G nanocatalysts is reported with an insight into the degradation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Progress and Challenges for Memtransistors in Neuromorphic Circuits and Systems

Due to the increasing importance of artificial intelligence (AI), significant recent effort has been devoted to the development of neuromorphic circuits that seek to emulate the energy-efficient information processing of the brain. While non-volatile memory (NVM) based on resistive switches, phase-change memory, and magnetic tunnel junctions has shown potential for implementing neural networks, additional multi-terminal device concepts are required for more sophisticated bio-realistic functions. Of particular interest are memtransistors based on low-dimensional nanomaterials, which are capable of electrostatically tuning memory and learning behavior at the device level. Herein, a conceptual overview of the memtransistor is provided in the context of neuromorphic circuits. Recent progress is surveyed for memtransistors and related multi-terminal NVM devices including dual-gated floating-gate memories, dual-gated ferroelectric transistors, and dual-gated van der Waals heterojunctions. Further, the different materials systems and device architectures are classified based on the degree of control and relative tunability of synaptic behavior, with an emphasis on device concepts that harness the reduced dimensionality, weak electrostatic screening, and phase-changes properties of nanomaterials. Finally, strategies for achieving wafer-scale integration of memtransistors and multi-terminal NVM devices are delineated, with specific attention given to the materials challenges for practical neuromorphic circuits.

36 MATERIALS SCIENCE↗

Tuning 3-D Nanomaterial Architectures Using Atomic Layer Deposition to Direct Solution Synthesis

The ability to synthesize nanoarchitected materials with tunable geometries provides a means to control their functional properties, with applications in biological, environmental, and energy fields. To this end, various bottom-up and top-down synthesis processes have been developed. However, many of these processes require prepatterning or etching steps, making them challenging to scale-up to complex, nonplanar substrates. Furthermore, the ability to integrate nanomaterials into hierarchical arrays with precise control of feature spacing and orientation remains a challenge. One approach to overcome these patterning challenges is the use of surface modification layers to guide the resulting geometry of nanomaterial architectures grown from the substrate. A powerful strategy to accomplish this is what we will refer to as “surface-directed assembly,” where the resulting geometric parameters (feature size, shape, orientation) are predetermined by the initial surface layer. In particular, the use of Atomic Layer Deposition (ALD) to form a surface layer, followed by solution-based growth processes, has the ability to synthesize architected structures with tunable geometries on complex, nonplanar surfaces. Over the past decade, we have reported a series of studies where surface-directed assembly is used to synthesize ZnO nanowires (NWs) on top of a variety of substrates. In this case, a thin film of ZnO is deposited onto the substrate using ALD, which can guide the NW diameter, spacing, and angular orientation with respect to the substrate by controlling epitaxial relationships. Furthermore, we have shown that by depositing a submonolayer overcoat of a secondary material (e.g., amorphous TiO 2 ), nucleation sites are partially blocked, which can further tune the spacing between nanowires while minimizing changes to their other geometric properties. This approach can be used to generate multilevel hierarchical structures, such as hyperbranched NW arrays with tunable control of each level of hierarchy using ALD. Finally, we have demonstrated that the tunable control of geometric parameters can be scaled-up to curved, nonplanar substrates. This highlights the power of ALD to conformally and uniformly deposit the seed layers on complex substrates with subnanometer precision. To complement these seeded hydrothermal approaches, we expanded this strategy to include conversion chemistry of the initial ALD seed layers. For example, by replacing ZnO with Al 2 O 3 as the seed layer without changing the hydrothermal growth conditions, Al–Zn layered-double hydroxide nanosheets can be formed instead of nanowires. In another example of conversion chemistry, a solution anion-exchange process was used to incorporate sulfur into ALD metal oxide films. In both of these conversion processes, the properties of the initial ALD film enabled tuning of the resulting nanostructure geometry. In this Account, we describe the use of ALD to guide the growth of diverse nanomaterial systems, with tunable control over their geometry and composition. We further show how these approaches can be used to tune functional properties for a range of applications, including superomniphobic surfaces, antibiofouling coatings, and photocatalysis. In conclusion, we conclude with an outlook on how the combination of ALD and solution synthesis can enable future directions in scalable nanomanufacturing to overcome the limitations of traditional top-down and bottom-up approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Low-dimensional carbon materials decorated FAPbI 3 for carbon-based perovskite solar cells

Carbon nanomaterials are at the forefront of research in perovskite solar cells (PSCs) due to their exceptional electrical, optical, and stability properties. Their diverse applications include serving as interfacial layers, additives, hole and electron transport materials, and back electrodes. While the influence of various low-dimensional carbon nanomaterial structures on crystallinity, optical and electrical performance, and overall device efficiency has been a topic of interest, it has not been thoroughly explored until now. In this study, we effectively integrated carbon quantum dots (CQDs), multi-walled carbon nanotubes (MWCNTs), and graphene into the FAPbI 3 photoactive layer using a two-step sequential deposition method. Our experiments revealed marked improvements in the photovoltaic performance of PSCs that incorporated all three types of carbon nanomaterials. In particular, the data shows significant enhancements in power conversion efficiency, demonstrating the effectiveness of these materials in optimizing device functionality. Notably, MWCNTs distinguished themselves by exhibiting a remarkable potential for enhancing long-term stability. This finding underscores the importance of selecting the right carbon nanomaterials for future PSC developments, paving the way for more reliable and efficient solar energy solutions. As a result, our research highlights the critical role of carbon nanomaterials in advancing perovskite solar technology.

14 SOLAR ENERGY↗

Hierarchical Nanomaterials Assembled from Peptoids and Other Sequence-Defined Synthetic Polymers

In nature, the self-assembly of sequence-specific biopolymers into hierarchical structures plays an essential role in the construction of functional biomaterials. To develop synthetic materials that can mimic and surpass the function of these natural counterparts, various sequence-defined bio- and biomimetic polymers have been developed and exploited as building blocks for hierarchical self-assembly. This review summarizes the recent advances in the molecular self-assembly of hierarchical nanomaterials based on peptoids (or poly-N-substituted glycines) and other sequence-defined synthetic polymers. Modern techniques to monitor the assembly mechanisms and characterize the physicochemical properties of these self-assembly systems are highlighted. In addition, discussions about their potential applications in biomedical sciences and renewable energy are also included. Furthermore, this review aims to highlight essential features of sequence-defined synthetic polymers (e.g., high stability and protein-like high-information content) and how these unique features enable the construction of robust biomimetic functional materials with high programmability and predictability, with an emphasis on peptoids and their self-assembled nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards functionalized lignin and its derivatives for high-value material applications

In pursuit of low-carbon development, the production of diverse functional materials from renewable resources, especially lignocellulosic biomass, is of vital importance. Lignin is a major component of lignocellulose, and it is nature's only true high-volume aromatic polymer, which has the advantages of biodegradability, biocompatibility, and low acquisition cost. After modification by a variety of physicochemical strategies, it can be applied as an alternative to basic industrial materials, including polyurethanes, phenolic, and epoxy resins, which stands comparably to conventional synthetic polymers in terms of both performance and reduced cost. To further unlock the potential of lignin, an alluring opportunity is the exploitation of lignin for high-value materials, especially nanomaterials, that find extensive applications in energy and environment areas. This review provides a systematic summary and perspective of research that has been devoted to lignin transformation to high-value materials, ranging from industrially well-established engineering materials to the recently emerged nanomaterials that were used for energy and environment applications. Latest cutting-edge innovations on lignin modification, controlled depolymerization, and assembly during the last five years are summarized. Structure-function relationships of lignin materials in terms of their specific applications are analyzed. Furthermore, challenges and future opportunities for lignin conversion to high-value materials are also provided. We wish this review will stimulate further advances in lignin based high-value materials, and promote “waste” into “wealth”.

36 MATERIALS SCIENCE↗

Terahertz-polarizing effect based on geometric anisotropy of Ti 3 C 2 T x MXene nanosheets

Two-dimensional (2D) nanomaterials have garnered considerable attention due to their unique properties, such as thinness and excellent electronic properties. The inherent anisotropy of 2D nanomaterials, which is characterized by their high aspect ratio, can maximize the directional functionality to enhance the conductivity and utilization of edges. Here, we demonstrate how to utilize the edges of titanium carbide (Ti 3 C 2 T x ) MXene nanosheet to control the linear polarization in the terahertz (THz) frequency range. By a simple and unique vertical alignment exploiting the high surface charge and excellent colloidal dispersibility of MXene nanosheets, MXene nanosheets are vertically oriented along an applied AC electric field. The well-aligned edges justify the THz polarizing effect, revealing outstanding performances such as the broadband coverage in 0.2–1.5 THz and an exceptional extinction ratio reaching 20 dB. Furthermore, we vary the local orientation of the vertical MXene nanosheets by tailoring the applied electric field, enabling spatially controllable polarization capabilities. Our results can provide a generic tool for the utilization of 2D nanomaterials in diverse potential applications in optics and electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Creation of Multi-Principal Element Alloy NiCoCr Nanostructures via Nanosecond Laser-Induced Dewetting

The multi-principal element alloy nanoparticles (MPEA NPs), a new class of nanomaterials, present a highly rewarding opportunity to explore new or vastly different functional properties than the traditional mono/bi/multimetallic nanostructures due to their unique characteristics of atomic-level homogeneous mixing of constituent elements in the nanoconfinements. Here, in this paper, the successful creation of NiCoCr nanoparticles, a well-known MPEA system is reported, using ultrafast nanosecond laser-induced dewetting of alloy thin films. Nanoparticle formation occurs by spontaneously breaking the energetically unstable thin films in a melt state under laser-induced hydrodynamic instability and subsequently accumulating in a droplet shape via surface energy minimization. While NiCoCr alloy shows a stark contrast in physical properties compared to individual metallic constituents, i.e., Ni, Co, and Cr, yet the transient nature of the laser-driven process facilitates a homogeneous distribution of the constituents (Ni, Co, and Cr) in the nanoparticles. Using high-resolution chemical analysis and scanning nanodiffraction, the environmental stability and grain arrangement in the nanoparticles are further investigated. Thermal transport simulations reveal that the ultrashort (≈100 ns) melt-state lifetime of NiCoCr during the dewetting event helps retain the constituent elements in a single-phase solid solution with homogenous distribution and opens the pathway to create the unique MPEA nanoparticles with laser-induced dewetting process.

36 MATERIALS SCIENCE↗

Atrazine Degradation Using Immobilized Triazine Hydrolase from Arthrobacter aurescens TC1 in Mesoporous Silica Nanomaterials

Triazine hydrolase fromArthrobacter aurescens TC1 (TrzN) was successfully immobilized on mesoporous silica nanomaterials (MSNs) for the first time. For both nonfunctionalized MSNs and MSNs functionalized with Zn(II), three pore sizes were evaluated for their ability to immobilize wild-type TrzN: Mobile composition of matter no. 41 (small, 3 nm pores), mesoporous silica nanoparticle material with 10 nm pore diameter (MSN-10) (medium, 6-12 nm pores), and pore-expanded MSN-10 (large, 15-30 nm pores). Of these six TrzN:MSN biomaterials, it was shown that TrzN:MSN-10 was the most active (3.8 +/- 0.4 x 10 -5 U/mg) toward the hydrolysis of a 50 uM atrazine solution at 25 degrees C. The TrzN:MSN-10 biomaterial was then coated in chitosan (TrzN:MSN-10:Chit) as chitosan has been shown to increase stability in extreme conditions such as low/high pH, heat shock, and the presence of organic solvents. TrzN:MSN-10:Chit was shown to be a superior TrzN biomaterial to TrzN:MSN-10 as it exhibited higher activity under all storage conditions, in the presence of 20% MeOH, at low and high pH values, and at elevated temperatures up to 80 degrees C. Finally, the TrzN:MSN-10:Chit biomaterial was shown to be fully active in river water, which establishes it as a functional biomaterial under actual field conditions. A combination of these data indicate that the TrzN:MSN-10:Chit biomaterial exhibited the best overall catalytic profile making it a promising biocatalyst for the bioremediation of atrazine.

09 BIOMASS FUELS↗

Isotope Production Education and Research via a Systematic Study of Photo-nuclear Reaction Yields and Excitation Functions

A new collaboration between the New Mexico Institute of Mining and Technology, Idaho State University, and Idaho National Laboratory builds the domestic workforce in isotope production and related science and technologies by conducting research and education programs related to photo-nuclear reactions. Workforce development was identified by the Department of Energy’s Office of Science in the Reaching a New Energy Sciences Workforce (RENEW) program that seeks to engage underrepresented university students in isotope production activities. This collaboration includes coursework development, student training, and isotope production research utilizing photo-nuclear reactions at electron linear accelerators. Bremsstrahlung-weighted excitation functions and cross-sections will be measured and the use of nanomaterials to exploit kinematic recoil reactions will be investigated. Students will be hosted at the Idaho National Laboratory where mentors will provide opportunities to explore careers in nuclear science and technology. This presentation regards the ongoing progress of the research and education objectives of the collaboration that was performed under the Office of Science Isotopes Program under award number D000-22-2765.

07 ISOTOPE AND RADIATION SOURCES↗

High‐Temperature Single‐Photon Emission From Covalently Functionalized van der Waals Heterostructures

Two-dimensional (2D) transition metal dichalcogenides (TMDs) such as tungsten diselenide (WSe 2 ) are attractive nanomaterials for quantum information applications due to single-photon emission (SPE) from intrinsic atomic defects. Defect and strain engineering techniques have been developed to produce high purity, deterministically placed SPE in WSe 2 . However, a major challenge in the application of these techniques is the low temperature required to observe defect-bound TMD exciton emission, typically limiting SPE to T < 30 K. SPE at higher temperatures either loses purity or requires integration into complex devices such as optical cavities. Here, 2D heterostructure engineering and molecular functionalization are combined to achieve high purity (>90%) SPE in strained WSe 2 persisting to over T = 90 K. Covalent diazonium functionalization of graphite in layered WSe 2 /graphite heterostructures maintains high purity up to T = 90 K and single-photon source integrity up to T = 115 K. This method preserves the best qualities of SPE from WSe 2 while increasing working temperature to more than three times the typical range. This work demonstrates the versatility of surface functionalization and heterostructure design to synergistically improve the properties of quantum emission and offers new insights into the phenomenon of SPE from 2D materials.

2D materials↗

From ground to excited electronic state dynamics of electron and ion irradiated graphene nanomaterials

Microscopes utilizing convergent electron and ion beams are emerging as powerful tools for both imaging and manipulating two-dimensional materials with atomic resolution, allowing the ultimate limits of nanofabrication to be realized. In this chapter, we detail the use of time-dependent electronic structure theory to determine the excited state properties and reactivity of functionalized graphene nanostructures. A time-dependent density functional theory treatment of electronic excitations of materials is presented, with specific emphasis on predicting the position-dependent electronic response of two-dimensional nanomaterials to electron beams. The method is demonstrated in a study highlighting the important role that electronic excitation can play in opening reaction pathways relevant to atomically precise defect manipulation in graphene. Finally, we provide some perspective on future development directions for methods of simulating nonequilibrium electronic and vibrational dynamics induced by electron/ion beams.

Lingerfelt, David↗

Membrane fusion and drug delivery with carbon nanotube porins

Significance The plasma membrane protects cell content from the outer environment. Overcoming this obstacle and delivering drugs efficiently into cells still remain a major hurdle for modern pharmacology and medicine. We developed and demonstrated a simple nanomaterial platform—a dimer of small-diameter carbon nanotube porins (CNTPs)—which functions as a potent membrane fusogen. Molecular simulations revealed a distinct fusion mechanism. CNTP-studded vesicles loaded with a chemotherapeutic agent, doxorubicin, delivered the drug to cancer cells, killing a majority of them. Our work provides new opportunities for understanding membrane fusion mechanisms, designing synthetic fusogens, and developing simple and efficient drug carriers for delivery of therapeutics and vaccines.

60 APPLIED LIFE SCIENCES↗

Discovering polyelemental nanostructures with redistributed plasmonic modes through combinatorial synthesis

Coupling plasmonic and functional materials provides a promising way to generate multifunctional structures. However, finding plasmonic nanomaterials and elucidating the roles of various geometric and dielectric configurations are tedious. This work describes a combinatorial approach to rapidly exploring and identifying plasmonic heteronanomaterials. Symmetry-broken noble/non-noble metal particle heterojunctions (~100 nanometers) were synthesized on multiwindow silicon chips with silicon nitride membranes. The metal types and the interface locations were controlled to establish a nanoparticle library, where the particle morphology and scattering color can be rapidly screened. By correlating structural data with near- and far-field single-particle spectroscopy data, we found that certain low-energy plasmonic modes could be supported across the heterointerface, while others are localized. Furthermore, we found a series of triangular heteronanoplates stabilized by epitaxial Moiré superlattices, which show strong plasmonic responses despite largely comprising a lossy metal (~70 atomic %). These architectures can become the basis for multifunctional and cost-effective plasmonic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗