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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modes of strain accommodation in Cu-Nb multilayered thin film on indentation and cyclic shear

Two-phase layered thin films with a high density of semi-coherent interfaces exhibit excellent mechanical properties and thermal stability. Here, in this study, a magnetron-sputtered Cu-Nb dual-layered thin film (~500 nm for Cu and ~150 nm for Nb) having an amorphous interface between Cu and Nb with a high density of aligned growth twins in Cu is subjected to severe surface deformation. The material is loaded using indentation and cyclic shear under tribological testing. The strain accommodation in the subsurface microstructure after deformation varies based on the local structure and deformation mode. Grain refinement and crack formations in the stressed region of the Nb layer and localized crystallization of the amorphous interface are observed after indentation and scratch testing. Pronounced detwinning of growth twins in the Cu layer under the cyclic shear strain leaves large dislocations sites and loops which are observed both by high-resolution transmission electron microscopy and experiment-guided molecular dynamic (MD) simulations. Our simulations provided insights into understanding the pathway for the detwinning process under cyclic shear loading.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Exploring the First High-Entropy Thin Film Libraries: Composition Spread-Controlled Crystalline Structure

Thin films of two types of high-entropy oxides (HEOs) have been deposited on 76.2 mm Si wafers using combinatorial sputter deposition. In one type of the oxides, (MgZnMnCoNi)O x , all the metals have a stable divalent oxidation state and similar cationic radii. In the second type of oxides, (CrFeMnCoNi)O x , the metals are more diverse in the atomic radius and valence state, and have good solubility in their sub-binary and ternary oxide systems. Therefore, the resulting HEO thin films were characterized using several high-throughput analytical techniques. The microstructure, composition, and electrical conductivity obtained on defined grid maps were obtained for the first time across large compositional ranges. The crystalline structure of the films was observed as a function of the metallic elements in the composition spreads, that is, the Mn and Zn in (MgZnMnCoNi)O x and Mn and Ni in (CrFeMnCoNi)O x . The (MgZnMnCoNi)O x sample was observed to form two-phase structures, except single spinel structure was found in (MgZnMnCoNi)O x over a range of Mn > 12 at. % and Zn < 44 at. %, while (CrFeMnCoNi)O x was always observed to form two-phase structures. Composition-controlled crystalline structure is not only experimentally demonstrated but also supported by density function theory calculation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Single-beam ion source enhanced growth of transparent conductive thin films

A single-beam ion source was developed and used in combination with magnetron sputtering to modulate the film microstructure. The ion source emits a single beam of ions that interact with the deposited film and simultaneously enhances the magnetron discharge. The magnetron voltage can be adjusted over a wide range, from approximately 240 to 130 V, as the voltage of the ion source varies from 0 to 150 V, while the magnetron current increases accordingly. The low-voltage high-current magnetron discharge enables a 'soft sputtering mode', which is beneficial for thin-film growth. Indium tin oxide (ITO) thin films were deposited at room temperature using a combined single-beam ion source and magnetron sputtering. Furthermore, the ion beam resulted in the formation of polycrystalline ITO thin films with significantly reduced resistivity and surface roughness. Single-beam ion-source-enhanced magnetron sputtering has many potential applications in which low-temperature growth of thin films is required, such as coatings for organic solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Domain fluctuations in a ferroelectric low-strain BaTiO 3 thin film

In this work, a ferroelectric BaTiO 3 thin film grown on a NdScO 3 substrate was studied using x-ray photon correlation spectroscopy (XPCS) to characterize thermal fluctuations near the a/b to a/c domain structure transformation present in this low-strain material, which is absent in the bulk. XPCS studies provide a direct comparison of the role of domain fluctuations in first- and second-order phase transformations. The a/b to a/c domain transformation is accompanied by a decrease in fluctuation timescales, and an increase in intensity and correlation length. Surprisingly, domain fluctuations are observed up to 25 °C above the transformation, concomitant with the growth of a/c domains and coexistence of both domain types. After a small window of stability, as the Curie temperature is approached, a/c domain fluctuations are observed, albeit slower, potentially due to the structural transformation associated with the ferroelectric to paraelectric transformation. The observed time evolution and reconfiguration of domain patterns highlight the role played by phase coexistence and elastic boundary conditions in altering fluctuation timescales in ferroelectric thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Tailoring the growth and electronic structures of organic molecular thin films

In the rapidly developing electronics industry, it has become increasingly necessary to explore materials that are cheap, flexible and versatile which have led to significant research efforts towards organic molecular thin films. Organic molecules are unique compared to their inorganic atomic counterparts as their properties can be tuned drastically through chemical functionalization, offering versatility, though their extended shape and weak intermolecular interactions bring significant challenges to the control of both the growth and the electronic structures of molecular thin films. Herein, we will review the self-assembly process and how to establish long-range ordered organic molecular thin films. We will also discuss how the electronic structures of thin films are impacted by the molecule’s local electrostatic environment and its interaction with the substrate, within the context of controlling interfacial energy level alignment between organic semiconductors and electrodes in electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

20%-efficient polycrystalline Cd(Se,Te) thin-film solar cells with compositional gradient near the front junction

Bandgap gradient is a proven approach for improving the open-circuit voltages (V OC s) in Cu(In,Ga)Se 2 and Cu(Zn,Sn)Se 2 thin-film solar cells, but has not been realized in Cd(Se,Te) thin-film solar cells, a leading thin-film solar cell technology in the photovoltaic market. Here, we demonstrate the realization of a bandgap gradient in Cd(Se,Te) thin-film solar cells by introducing a Cd(O,S,Se,Te) region with the same crystal structure of the absorber near the front junction. The formation of such a region is enabled by incorporating oxygenated CdS and CdSe layers. We show that the introduction of the bandgap gradient reduces the hole density in the front junction region and introduces a small spike in the band alignment between this and the absorber regions, effectively suppressing the nonradiative recombination therein and leading to improved VOCs in Cd(Se,Te) solar cells using commercial SnO 2 buffers. A champion device achieves an efficiency of 20.03% with a V OC of 0.863 V.

14 SOLAR ENERGY↗
DOE OSTI2021

Orientation-Controlled Large-Area Epitaxial PbI 2 Thin Films with Tunable Optical Properties

Lead iodide (PbI 2 ) as a layered material has emerged as an excellent candidate for optoelectronics in the visible and ultraviolet regime. Micrometer-sized flakes synthesized by mechanical exfoliation from bulk crystals or by physical vapor deposition have shown a plethora of applications from low-threshold lasing at room temperature to high-performance photodetectors with large responsivity and faster response. However, large-area centimeter-sized growth of epitaxial thin films of PbI 2 with well-controlled orientation has been challenging. Additionally, the nature of grain boundaries in epitaxial thin films of PbI 2 remains elusive. Here, we use mica as a model substrate to unravel the growth mechanism of large-area epitaxial PbI 2 thin films. The partial growth leading to uncoalesced domains reveals the existence of inversion domain boundaries in epitaxial PbI 2 thin films on mica. Combining the experimental results with first-principles calculations, we also develop an understanding of the thermodynamic and kinetic factors that govern the growth mechanism, which paves the way for the synthesis of high-quality large-area PbI 2 on other substrates and heterostructures of PbI 2 on single-crystalline graphene. Here, the ability to reproducibly synthesize high-quality large-area thin films with precise control over orientation and tunable optical properties could open up unique and hitherto unavailable opportunities for the use of PbI 2 and its heterostructures in optoelectronics, twistronics, substrate engineering, and strain engineering.

2D materials↗
DOE OSTI2025

Additive manufacturing for electrocaloric terpolymer thin films

Current heating, venting, and air conditioning (HVAC) systems have drawbacks of high energy consumption, large CO 2 emissions, and low efficiency. Electrocaloric (EC) cycles present an eco-friendly alternative by converting thermal energy to electrical energy. Defect-free thin films with uniform thickness are required to achieve optimal EC performance. A scalable thin film fabrication process is essential for integrating EC cycles into HVAC systems. This study introduces EC thin films prepared by electrospray (ES) processing, a manufacturing method that deposits EC polymer layer by layer using high voltage. The resulting films show superior thickness control, smoother surfaces, and improved thermal and electrical properties compared with solution casting. In addition, post-annealing at 120°C enhances the thermal and EC performance, with films achieving a temperature change (ΔT) of 3.6°C at 100 MV/m when tested near room temperature. With the potential for future scalability, the ES method offers a promising approach for fabricating EC thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Advances in actinide thin films: synthesis, properties, and future directions

Actinide-based compounds exhibit unique physics due to the presence of 5f electrons, and serve in many cases as important technological materials. Targeted thin film synthesis of actinide materials has been successful in generating high-purity specimens in which to study individual physical phenomena. These films have enabled the study of the unique electron configuration, strong mass renormalization, and nuclear decay in actinide metals and compounds. The growth of these films, as well as their thermophysical, magnetic, and topological properties, have been studied in a range of chemistries, albeit far fewer than most classes of thin film systems. This relative scarcity is the result of limited source material availability and safety constraints associated with the handling of radioactive materials. Here, we review recent work on the synthesis and characterization of actinide-based thin films in detail, describing both synthesis methods and modeling techniques for these materials. Further, we review reports on pyrometallurgical, solution-based, and vapor deposition methods. We highlight the current state-of-the-art in order to construct a path forward to higher quality actinide thin films and heterostructure devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

In situ X-ray measurements over large Q-space to study the evolution of oxide thin films prepared by RF sputter deposition

Sputter deposition is a versatile and industrially important deposition technique for thin films, with increasing demand for matching the characteristics of thin film materials to specific requirements. Additionally, the actual film properties are largely determined by sputtering parameters such as pressure conditions, temperature and power settings. By means of various X-ray diffraction and scattering techniques, it is shown that the characterization of film formation and growth is feasible in real time at synchrotron sources, thus adding an important dimension to the fundamental understanding of the evolution of thin film microstructure. In particular, grazing incidence small-angle X-ray scattering, grazing incidence X-ray powder diffraction and X-ray reflectometry are used in a complementary manner to study the influence of deposition temperature and substrate choice on the crystallization kinetics and growth of polycrystalline BaTiO 3 films.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Co doping effect on structural and optical properties of nickel oxide (NiO) thin films via spray pyrolysis

Undoped and cobalt doped nickel oxide thin films (Co:NiO) at different doping concentrations were deposited on a glass substrate at constant substrate temperature by spray pyrolysis. The doping percentage increased from 0 to 10% and the effects of doping content on structural, morphological and optical properties were explored by X-ray diffraction, atomic force microscopy and UV–visible spectroscopy, respectively. X-ray diffraction configurations proved the NiO thin films were polycrystalline in nature having a cubic crystal structure. The regularly used parameters such as crystallite size, micro-strain, dislocation density and texture coefficient are presented from structural data. The average crystallite size is found between 10 and 14 nm with cobalt doping (Co) concentration. The band gap energies were increased with the effect of Co doping concentration in the range between 2.10 and 2.50 eV. The various optical constants as a function of photon energy are modified with Co doping concentration.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Ag-doped HfO{sub 2} thin films via sol–gel dip coating method

In this study, undoped and Ag-doped HfO{sub 2} thin films were deposited on glass substrates by means of sol–gel dip coating method. These films were then thermally annealed at 500 °C for 1 h. The structural and optical properties of undoped and Ag-doped HfO{sub 2} thin films were characterized by X-ray diffraction, UV–Vis spectrometry and scanning electron microscope. The results of this analysis were compared and interpreted with the results obtained in literature by various methods of coating with HfO{sub 2}. The X-ray diffraction peaks of the films paired with monoclinic HfO{sub 2} crystalline peaks. The refractive indices of the films decreased with doping Ag, at 500 nm wavelengths. The optical band gap values of Ag-doped HfO{sub 2} thin films increased with doping Ag. The porous structures were observed on the surface films, especially with 5% Ag doping.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Thin-film catalyst with enhanced catalyst-support interactions

An efficient, stable catalyst material having a thin film catalyst supported on a support of metal carbide, nitride, oxide, carbonitride, oxycarbonitride core. The thin film catalyst comprises a catalytic metal selected from the group consisting of platinum-group metals, platinum-group metal oxides, transition metals, transition metal oxides, and combinations thereof. The thin film catalyst is covalently bonded to the support.

Shirvanian, Alizera Pezhman↗
DOE OSTI2019

Enhanced pyroelectric properties of Bi 1-x La x FeO 3 thin films

There is growing interest in the study of thin-film pyroelectric materials because of their potential for high performance thermal-energy conversion, thermal sensing, and beyond. Electrothermal susceptibilities, such as pyroelectricity, are known to be enhanced in proximity to polar instabilities, and this is conventionally accomplished by positioning the material close to a temperature-driven ferroelectric-to-paraelectric phase transition. The high Curie temperature (T C ) for many ferroelectrics, however, limits the utility of these materials at room-temperature. Here, the nature of pyroelectric response in thin films of the widely studied multiferroic Bi 1-x La x FeO 3 (x = 0-0.45) is probed. While BiFeO 3 itself has a high T C , lanthanum substitution results in a chemically induced lowering of the ferroelectric-to-paraelectric and structural-phase transition. The effect of isovalent lanthanum substitution on the structural, dielectric, ferroelectric, and pyroelectric response is investigated using reciprocal-space-mapping studies; field-, frequency-, and temperature-dependent electrical measurements; and phase-sensitive pyroelectric measurements, respectively. While BiFeO 3 itself has a rather small pyroelectric coefficient at room temperature (~-40 μC/m 2 K), 15% lanthanum substitution results in an enhancement of the pyroelectric coefficient by 100% which is found to arise from a systematic lowering of T C .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electron doping of NdNiO 3 thin films using dual chamber CaH 2 annealing

Hydrogen donor doping has been exploited as a strategy to manipulate the electronic structure and electrical properties of functional oxide systems. Especially, the development of synthetic methods to achieve electron doping of perovskite rare-earth nickelate thin films utilizing interstitial hydrogen is highly desirable considering the rich electronic phase diagram hosting several functional properties. Here, in this work, we present the hydrogenation of NdNiO 3 (NNO) thin films using CaH 2 annealing and the resulting giant modulation of electrical resistivity in hydrogenated NNO (H–NNO) thin films. Magnetron sputtering was employed to deposit epitaxial ~60 nm-thin NNO films on single crystal LaAlO 3 (LAO) substrates. The formation of the pristine perovskite NNO phase was realized after annealing the films at 500 °C for 24 h. CaH 2 annealing of NNO thin films for time durations ranging from 1 to 6 h was performed in a vacuumed ampule with two interconnected chambers at 280 °C. The two-chamber design enables a simple and clean approach for hydrogen doping without physical contact between the powder and sample of interest. X-ray diffraction and Raman spectroscopy revealed the formation of NNO in pristine samples, and the subsequent hydrogen incorporation upon CaH 2 annealing without forming any impurity phases. The conversion of the oxidation state of Ni towards +2 upon CaH 2 annealing was probed using X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. Consequently, a substantial increase in the room-temperature resistivity was observed upon CaH 2 annealing indicating the formation of a strongly correlated electronic configuration of Ni in H–NNO due to electron doping. Overall, the findings of this study highlight the versatility of CaH 2 annealing as an electron doping method to tune the electrical properties of correlated oxides at low temperatures.

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

Expanding the Zinc Precursor Toolbox: A Comparative Study of Precursors for Thermal ALD of ZnO Thin Films

Atomic layer deposition (ALD) of zinc oxide (ZnO) has been widely researched using diethyl zinc (DEZ)-based methods. The significant importance of thin films of ZnO as transparent conductive oxides (TCO) in optoelectronic devices and photovoltaics warrants examining alternative Zn precursors for ZnO ALD as potential replacements for the pyrophoric DEZ. In this study, we investigated three alternative Zn precursors: Zn(EEKI)2, Zn(DMP)2, ZnEt(HMDS), in the process development for high-quality ZnO thin films and compared them to DEZ. The ALD processes were studied using in situ spectroscopic ellipsometry. The properties of the ALD ZnO films were characterized using ex situ X-ray photoelectron spectroscopy (XPS), Rutherford backscattering spectrometry and nuclear reaction analysis (RBS/NRA), X-ray diffraction (XRD), atomic force microscopy (AFM), transmission electron microscopy (TEM), and ultraviolet-visible (UV/Vis) spectrophotometry. These measurements confirmed the formation of pure, stoichiometric, and polycrystalline ZnO films using all four Zn precursors. Although the selected precursors are chemically diverse Zn compounds, they all yielded saturating ALD processes and high-quality ZnO thin films at 200 °C. This study highlights the potential benefits of alternative zinc precursors in designing ALD processes for ZnO thin films.

Obenlüneschloß, Jorit↗
DOE OSTI2025

Topological Surface and Bulk States in Dirac Semimetal Alpha-Sn Thin Films

Supported by this DOE grant, we made significant advancements in the study and application of topological surface states (TSS) in topological Dirac semimetal (TDS) α-Sn thin films. Our key findings include: (1) the successful growth of TDS α-Sn thin films via sputtering, an industry-friendly technique, on Si and InSb substrates, marking a breakthrough over previous molecular beam epitaxy methods, (2) the demonstration of enhanced damping in adjacent NiFe thin films due to the TSS of α-Sn, (3) the first observation of a strong bilinear magneto-electric resistance (BMER) effect in TDS materials at room temperature, with responses surpassing previous results, (4) the identification of quantum oscillations in α-Sn thin films associated with the TSS, revealing critical quantum transport characteristics such as Berry phase and quantum mobility, (5) the first experimental observation of negative magnetoresistance in α-Sn, and (6) the demonstration of spinorbit torque-driven, field-free magnetization switching in an α-Sn/Ag/CoFeB trilayer, achieving efficiency levels higher than conventional heavy-metal-based structures, highlighting the essential role of TSS in enabling the switching process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Tunable Ferromagnetism in LaCoO 3 Epitaxial Thin Films

We report ferromagnetic insulators play a crucial role in the development of low-dissipation quantum magnetic devices for spintronics. Epitaxial LaCoO 3 thin film is a prominent ferromagnetic insulator, in which the robust ferromagnetic ordering emerges owing to epitaxial strain. Whereas it is evident that strong spin-lattice coupling induces ferromagnetism, the reported ferromagnetic properties of epitaxially strained LaCoO 3 thin films are highly consistent. For example, even under largely modulated degree of strain, the reported Curie temperatures of epitaxially strained LaCoO 3 thin films lie in a narrow range of 80–85 K, without much deviation. In this study, substantial enhancement (≈18%) in the Curie temperature of epitaxial LaCoO 3 thin films is demonstrated via crystallographic orientation dependence. By changing the crystallographic orientation of the films from (111) to (110), the crystal-field energy is reduced and the charge transfer between the Co and O orbitals is enhanced. These modifications lead to a considerable enhancement of the ferromagnetic properties (including the Curie temperature and magnetization), despite the identical nominal degree of epitaxial strain. The findings of this study provide insights into facile tunability of ferromagnetic properties via structural symmetry control in LaCoO 3 .

36 MATERIALS SCIENCE↗