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From Data to Discovery: AI's Transformative Role in Thin Film Research

The advancement of thin film technologies is pivotal for progress in numerous fields, including energy, electronics, and quantum computing. However, the traditional trial-and-error approach to materials discovery is inherently slow and inefficient. This presentation will showcase how artificial intelligence (AI) is transforming thin film research by enabling a data-driven paradigm shift. We will highlight our past successes in applying AI to understand radiation damage in thin film oxides, demonstrating how graph analytics can unravel complex material behavior. Additionally, we will provide insights into our current work at the National Renewable Energy Laboratory, where we are leading the charge in autonomous materials science. Backed by a $14M investment in our characterization facility, we are developing AI-guided workflows that seamlessly integrate experimentation and AI-guided decision-making. By harnessing the power of AI, we aim to accelerate the discovery and design of high-performance thin films, propelling innovation across a multitude of industries.

36 MATERIALS SCIENCE

Electrodeposited CuInSe2 Thin Film Junctions

We have investigated thin films and junctions based on copper indium diselenide (CIS) which have been grown by electrochemical deposition. CIS is a leading candidate for use in polycrystalline thin film photovoltaic solar cells. Electrodeposition is a cost-effective method for producing thin-film CIS. We have produced both p and n type CIS thin films from the same aqueous solution by simply varying the deposition potential. A CIS pn junction was deposited using a step-function potential. Stoichiometry of the single layer films was determined by energy dispersive spectroscopy. Carrier densities of these films increased with deviation from stoichiometry, as determined by the capacitance versus voltage dependence of Schottky contacts. Optical bandgaps for the single layer films as determined by transmission spectroscopy were also found to increase with deviation from stoichiometry. Rectifying current versus voltage characteristics were demonstrated for the Schottky barriers and for the pn junction.

Raffaelle, R. P.

Electrodeposited CulnSe2 Thin Film Junctions

We have investigated thin films and junctions based on copper indium diselenide (CIS) which have been grown by electrochemical deposition. CIS is a leading candidate for use in polycrystalline thin film photovoltaic solar cells. Electrodeposition is a cost-effective method for producing thin-film CIS. We have produced both p and n type CIS thin films from the same aqueous solution by simply varying the deposition potential. A CIS pn junction was deposited using a step-function potential. Stoichiometry of the single layer films was determined by energy dispersive spectroscopy. Carrier densities of these films increased with deviation from stoichiometry, as determined by the capacitance versus voltage dependence of Schottky contacts. Optical bandgaps for the single layer films as determined by transmission spectroscopy were also found to increase with deviation from stoichiometry. Rectifying current versus voltage characteristics were demonstrated for the Schottky barriers and for the pn junction.

Raffaelle, R. P.

Thin film cell development workshop report

The Thin Film Development Workshop provided an opportunity for those interested in space applications of thin film cells to debate several topics. The unique characteristics of thin film cells as well as a number of other issues were covered during the discussions. The potential of thin film cells, key research and development issues, manufacturing issues, radiation damage, substrates, and space qualification of thin film cells were discussed.

Woodyard, James R.

23.5 percent thin-film space concentrator cells

Thin-film AlGaAs-GaAs double-heterostructure concentrator cells were fabricated which exhibit total-area conversion efficiencies as high as 23.5 percent AM0 at 100 suns, 25 C. This is one of the best space concentrators measured to date at NASA and is designed for a thin-film cell without a prismatic coverglass. This solar cell structure consists of a GaAs/AlGaAs film less than 5 micron thick mounted to a glass cover/superstrate, with coplanar back-side contacts. The coverglass is not prismatic. The CLEFT process, a method for mechanically separating epitaxial layers from their substrate, is used to process these cells into thin films. The advantages of single-crystal GaAs are thereby retained, while reducing weight and cutting cost by allowing for substrate reuse. Thin-film cells also have better thermal management capabilities and can be stacked for use in tandem structures. Cell fabrication and performance are described, and directions for further improvements are identified.

Dingle, B. D.

Toward understanding the dimensional crossover of canonical spin-glass thin films

Spin-glass thin films exhibit many features different from the bulk. The freezing temperatures of spin-glass films are suppressed for reduced thickness and follow the Kenning relation. The dynamics are altered near the vacuum interface. These phenomena are closely related to the lower critical dimension of spin glasses, the spin-glass correlation length, and the dimensional crossover from d = 3 to d = 2. In this article, we review the experimental facts and theoretical perspectives for spin-glass thin films. We focus on canonical spin-glass systems with the Ruderman–Kittel–Kasuya–Yosida (RKKY) interaction between magnetic impurities in a nonmagnetic host. Open questions to be addressed are emphasized.

interfacial effects

Evaluation of space environmental effects on metals and optical thin films on EOIM-3

Metals and optical thin films exposed to the space environment on the Third Flight of the Evaluation of Oxygen Interactions with Materials (EOIM-3) payload, onboard Space Shuttle mission STS-46 were evaluated. The materials effects described in this paper include the effects of space exposure on various pure metals, optical thin films, and optical thin film metals. The changes induced by exposure to the space environment in the material properties were evaluated using bidirectional reflectance distribution function (BRDF), specular reflectance (250 nm to 2500 nm), ESCA, VUV reflectance (120 nm to 200 nm), ellipsometry, FTIR and optical properties. Using these analysis techniques gold optically thin film metal mirrors with nickel undercoats were observed to darken due to nickel diffusion through the gold to the surface. Also, thin film nickel mirrors formed nickel oxide due to exposure to both the atmosphere and space.

Vaughn, Jason A.

Advances in polycrystalline thin-film photovoltaics for space applications

Polycrystalline, thin-film photovoltaics represent one of the few (if not the only) renewable power sources which has the potential to satisfy the demanding technical requirements for future space applications. The demand in space is for deployable, flexible arrays with high power-to-weight ratios and long-term stability (15-20 years). In addition, there is also the demand that these arrays be produced by scalable, low-cost, high yield, processes. An approach to significantly reduce costs and increase reliability is to interconnect individual cells series via monolithic integration. Both CIS and CdTe semiconductor films are optimum absorber materials for thin-film n-p heterojunction solar cells, having band gaps between 0.9-1.5 ev and demonstrated small area efficiencies, with cadmium sulfide window layers, above 16.5 percent. Both CIS and CdTe polycrystalline thin-film cells have been produced on a laboratory scale by a variety of physical and chemical deposition methods, including evaporation, sputtering, and electrodeposition. Translating laboratory processes which yield these high efficiency, small area cells into the design of a manufacturing process capable of producing 1-sq ft modules, however, requires a quantitative understanding of each individual step in the process and its (each step) effect on overall module performance. With a proper quantification and understanding of material transport and reactivity for each individual step, manufacturing process can be designed that is not 'reactor-specific' and can be controlled intelligently with the design parameters of the process. The objective of this paper is to present an overview of the current efforts at MMC to develop large-scale manufacturing processes for both CIS and CdTe thin-film polycrystalline modules. CIS cells/modules are fabricated in a 'substrate configuration' by physical vapor deposition techniques and CdTe cells/modules are fabricated in a 'superstrate configuration' by wet chemical methods. Both laser and mechanical scribing operations are used to monolithically integrate (series interconnect) the individual cells into modules. Results will be presented at the cell and module development levels with a brief description of the test methods used to qualify these devices for space applications. The approach and development efforts are directed towards large-scale manufacturability of established thin-film, polycrystalline processing methods for large area modules with less emphasis on maximizing small area efficiencies.

Lanning, Bruce R.

Pyrolyzed thin film carbon

A method of making carbon thin films comprises depositing a catalyst on a substrate, depositing a hydrocarbon in contact with the catalyst and pyrolyzing the hydrocarbon. A method of controlling a carbon thin film density comprises etching a cavity into a substrate, depositing a hydrocarbon into the cavity, and pyrolyzing the hydrocarbon while in the cavity to form a carbon thin film. Controlling a carbon thin film density is achieved by changing the volume of the cavity. Methods of making carbon containing patterned structures are also provided. Carbon thin films and carbon containing patterned structures can be used in NEMS, MEMS, liquid chromatography, and sensor devices.

Tai, Yu-Chong

Semiconductor cooling by thin-film thermocouples

Thin-film, metal alloy thermocouple junctions do not rectify, change circuit impedance only slightly, and require very little increase in space. Although they are less efficient cooling devices than semiconductor junctions, they may be applied to assist conventional cooling techniques for electronic devices.

Tick, P. A.

Electrical properties of tellurium thin films

Evaporated tellurium thin films electric properties, discussing fabrication techniques, temperature dependence, field effect and Hall mobilities, threshold voltage and stability

Dutton, R. W.

Thin film gauge

A thin film gauge for use in measuring distributed convective heat transfer rates occurring along given surfaces, is described. The gauge is particularly suited to measuring test surfaces in the air stream of a wind tunnel. The gauge is characterized by a plurality of painted platinum leads extend across the surface of a substrate; a pair of leads on the surface is adapted to deliver an electric current at a constant amperage through a selected thermally active area. Leads are also coupled at opposite sides of the thermally active area for detecting induced voltage drops occurring in the area so that the active length of the gauge is defined between voltage output leads. Changes in heat transfer to the thermally active area are isolated and determined by detecting induces changes in voltage drop.

Mcronald, A. D.

Optical Properties of Thin Film Molecular Mixtures

Thin films composed of molecular mixtures of metal and dielectric are being considered for use as solar selective coatings for a variety of space power applications. By controlling the degree of molecular mixing, the solar selective coatings can be tailored to have the combined properties of high solar absorptance, , and low infrared emittance, . On orbit, these combined properties would simultaneously maximize the amount of solar energy captured by the coating and minimize the amount of thermal energy radiated. Mini-satellites equipped with solar collectors coated with these cermet coatings may utilize the captured heat energy to power a heat engine to generate electricity, or to power a thermal bus that directs heat to remote regions of the spacecraft. Early work in this area identified the theoretical boundary conditions needed to operate a Carnot cycle in space, including the need for a solar concentrator, a solar selective coating at the heat inlet of the engine, and a radiator.1 A solar concentrator that can concentrate sunlight by a factor of 100 is ideal. At lower values, the temperature of the solar absorbing surface becomes too low for efficient heat engine operation, and at higher values, cavity type heat receivers become attractive. In designing the solar selective coating, the wavelength region yielding high solar absorptance must be separated from the wavelength region yielding low infrared emittance by establishing a sharp transition in optical properties. In particular, a sharp transition in reflectance is desired in the infrared to achieve the desired optical performance. For a heat engine operating at 450 C, a sharp transition at 1.8 micrometers is desired.2 The radiator completes the heat flow through the Carnot cycle.

Jaworske, Donald A.

Memory switches based on metal oxide thin films

MnO.sub.2-x thin films (12) exhibit irreversible memory switching (28) with an OFF/ON resistance ratio of at least about 10.sup.3 and the tailorability of ON state (20) resistance. Such films are potentially extremely useful as a connection element in a variety of microelectronic circuits and arrays (24). Such films provide a pre-tailored, finite, non-volatile resistive element at a desired place in an electric circuit, which can be electrically turned OFF (22) or disconnected as desired, by application of an electrical pulse. Microswitch structures (10) constitute the thin film element, contacted by a pair of separate electrodes (16a, 16b) and have a finite, pre-selected ON resistance which is ideally suited, for example, as a programmable binary synaptic connection for electronic implementation of neural network architectures. The MnO.sub.2-x microswitch is non-volatile, patternable, insensitive to ultraviolet light, and adherent to a variety of insulating substrates (14), such as glass and silicon dioxide-coated silicon substrates.

Ramesham, Rajeshuni

Thin-Film Resistive Heater

Thin-film electrically resistive heater applies high, controlled flux of heat to surface of object. Heater mounted directly on surface of object. It is small, simple to operate, and less expensive than laser and arc heating facilities. Because only other equipment needed appropriate power supply, thin-film heater essentially portable device useful in wide range of eventual applications in research and in field.

Scotti, Stephen J.