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DOE OSTI2018

2014-2018 Summary of NCAR activities in the Earth Energy Exascale System Model (E3SM) project

NCAR participation in E3SM activities as part of this funded collaborative project has been successful in leveraging the existing atmosphere model development experience from CESM scientists and applying it to initial v1 atmosphere model (EAM) development and analysis. NCAR partners collectively had many decades of experience in parameterization development, running and tuning coupled models and building the required software infrastructure to support ongoing model developments. Furthermore, collaboration between E3SM and CESM developers was of mutual benefit to both modeling endeavors. In the earlier periods of the project, participation in E3SM both complemented core critical path DOE activities and advanced individual parameterization development; including orographic drag, convection parameterization, convective gustiness and cloud and microphysical processes. Significant progress has been made implementing model capabilities for separating out the physics and dynamics grids, and providing the infrastructure for including orographic elevation class communication between the land and atmosphere models. Our activities working with the E3SM workflow and software engineering teams have established efficient protocols and infrastructure for the sharing of CESM and E3SM model codes of interest to both modeling groups, a large component of which is the mutual communication of common code bugs. As well as these specific project tasks all NCAR project members have been regular participants in atmosphere and coupled group telecons, as well as PI meetings. We have been fully engaged with and contributed to decisions regarding v1 atmosphere model developments, coupled model simulations, model tunings, and software engineering infrastructure. NCAR’s contribution to more recent E3SM development activities has centered on analysis of v1 release and pre-release simulations in order to address outstanding systematic biases and communicate climate improvements. Of particularly note is the work in understanding clouds and cloud feedbacks, shortcomings in ENSO and sub-seasonal variability; in particular the Madden Julian Oscillation (MJO). Contributions have been made to a number of papers that are currently published or in preparation detailing model performance in CMIP6-protocal experiments. They outline the simulations of mean climate, clouds and convection processes, convective gustiness, atmospheric blocking coupled climates. The contributions of NCAR’s funded activities to the E3SM atmosphere in the initial years of the project have had a positive impact on many aspects of the model simulations described in these papers.

58 GEOSCIENCES↗

NASA NTRS1993

Preliminary supersonic flight test evaluation of performance seeking control

Digital flight and engine control, powerful onboard computers, and sophisticated controls techniques may improve aircraft performance by maximizing fuel efficiency, maximizing thrust, and extending engine life. An adaptive performance seeking control system for optimizing the quasi-steady state performance of an F-15 aircraft was developed and flight tested. This system has three optimization modes: minimum fuel, maximum thrust, and minimum fan turbine inlet temperature. Tests of the minimum fuel and fan turbine inlet temperature modes were performed at a constant thrust. Supersonic single-engine flight tests of the three modes were conducted using varied after burning power settings. At supersonic conditions, the performance seeking control law optimizes the integrated airframe, inlet, and engine. At subsonic conditions, only the engine is optimized. Supersonic flight tests showed improvements in thrust of 9 percent, increases in fuel savings of 8 percent, and reductions of up to 85 deg R in turbine temperatures for all three modes. The supersonic performance seeking control structure is described and preliminary results of supersonic performance seeking control tests are given. These findings have implications for improving performance of civilian and military aircraft.

Orme, John S.↗

NASA NTRS1996

Wave Engine Topping Cycle Assessment

The performance benefits derived by topping a gas turbine engine with a wave engine are assessed. The wave engine is a wave rotor that produces shaft power by exploiting gas dynamic energy exchange and flow turning. The wave engine is added to the baseline turboshaft engine while keeping high-pressure-turbine inlet conditions, compressor pressure ratio, engine mass flow rate, and cooling flow fractions fixed. Related work has focused on topping with pressure-exchangers (i.e., wave rotors that provide pressure gain with zero net shaft power output); however, more energy can be added to a wave-engine-topped cycle leading to greater engine specific-power-enhancement The energy addition occurs at a lower pressure in the wave-engine-topped cycle; thus the specific-fuel-consumption-enhancement effected by ideal wave engine topping is slightly lower than that effected by ideal pressure-exchanger topping. At a component level, however, flow turning affords the wave engine a degree-of-freedom relative to the pressure-exchanger that enables a more efficient match with the baseline engine. In some cases, therefore, the SFC-enhancement by wave engine topping is greater than that by pressure-exchanger topping. An ideal wave-rotor-characteristic is used to identify key wave engine design parameters and to contrast the wave engine and pressure-exchanger topping approaches. An aerodynamic design procedure is described in which wave engine design-point performance levels are computed using a one-dimensional wave rotor model. Wave engines using various wave cycles are considered including two-port cycles with on-rotor combustion (valved-combustors) and reverse-flow and through-flow four-port cycles with heat addition in conventional burners. A through-flow wave cycle design with symmetric blading is used to assess engine performance benefits. The wave-engine-topped turboshaft engine produces 16% more power than does a pressure-exchanger-topped engine under the specified topping constraints. Positive and negative aspects of wave engine topping in gas turbine engines are identified.

Welch, Gerard E.↗

NASA NTRSDate not supplied

Hybrid Thermally Efficient Core (HyTEC) Project Overview

Goal: - The Hybrid Thermally Efficient Core (HyTEC) Project will accelerate the development of the next generation small-core turbofan engine technologies with improvements in efficiency, durability, performance, hybridization, and sustainability in order to meet the next Entry into Service (EIS) single aisle aircraft expected in the 2030’s. Objectives: - Achieve 5-10% fuel burn reduction versus 2020 best in class. - Achieve up to 20% power extraction (4 times current state of the art) at altitude to optimize propulsion system performance and enable hybridization. - Demonstrate the effective and efficient operability of high blend (>80%) Sustainable Aviation Fuels (SAFs) in 2030s EIS combustors.

Tony Nerone↗

NASA NTRSDate not supplied

NASA HyTEC Project Overview

The Hybrid Thermally Efficient Core (HyTEC) Project will accelerate the development of the next generation small-core turbofan engine technologies with improvements in efficiency, durability, performance, hybridization, and sustainability in order to meet the next Entry into Service (EIS) single aisle aircraft expected in the 2030’s.

Tony Nerone↗

DOE OSTI2017

Co-Optimization of Fuels and Engines (Co-Optima) -- Introduction

The Co-Optimization of Fuels and Engines (Co-Optima) initiative is a U.S. Department of Energy (DOE) effort funded by both the Vehicle and Bioenergy Technology Offices. The overall goal of the effort is to identify the combinations of fuel properties and engine characteristics that maximize efficiency, independent of production pathway or fuel composition, and accelerate commercialization of these technologies. Multiple research efforts are underway focused on both spark-ignition and compression-ignition strategies applicable across the entire light, medium, and heavy-duty fleet. A key objective of Co-Optima's research is to identify new blendstocks that enhance current petroleum blending components, increase blendstock diversity, and provide refiners with increased flexibility to blend fuels with the key properties required to optimize advanced internal combustion engines. In addition to fuels and engines R&D, the initiative is guided by analyses assessing the near-term commercial feasibility of new blendstocks based on economics, environmental performance, compatibility, and large-scale production viability. This talk will provide an overview of the Co-Optima effort.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2017

Contingency Analysis Post-Processing With Advanced Computing and Visualization

Contingency analysis is a critical function widely used in energy management systems to assess the impact of power system component failures. Its outputs are important for power system operation for improved situational awareness, power system planning studies, and power market operations. With the increased complexity of power system modeling and simulation caused by increased energy production and demand, the penetration of renewable energy and fast deployment of smart grid devices, and the trend of operating grids closer to their capacity for better efficiency, more and more contingencies must be executed and analyzed quickly in order to ensure grid reliability and accuracy for the power market. Currently, many researchers have proposed different techniques to accelerate the computational speed of contingency analysis, but not much work has been published on how to post-process the large amount of contingency outputs quickly. This paper proposes a parallel post-processing function that can analyze contingency analysis outputs faster and display them in a web-based visualization tool to help power engineers improve their work efficiency by fast information digestion. Case studies using an ESCA-60 bus system and a WECC planning system are presented to demonstrate the functionality of the parallel post-processing technique and the web-based visualization tool.

Chen, Yousu↗

NASA NTRSDate not supplied

NASA’s Efficient Quiet Integrated Propulsors (Equip) Technical Challenge

Advances in aircraft propulsor technology - ducted and unducted - are key elements to developing a sustainable aviation future. Increasing propulsive efficiency comes with significant challenges. The long-term trend in aircraft engine design has been towards higher bypass ratios to increase efficiency and decrease noise. Current designs are pushing against limits on engine size; the engine must fit under the wing and overcome the nacelle weight, aerodynamic drag, and airframe integration penalties associated with an ultra-high bypass ratio. The next-generation ducted engines will have shorter inlets and smaller rotor-stator spacing to minimize nacelle area. This increases the potential for non-uniform flow at the fan face and less area for acoustic liners. Unducted engines eliminate the nacelle penalty while presenting challenges to noise and operability in distorted flow environments. The overall diameter in both cases raises questions about engine-airframe integration to maximize efficiency gains and minimize installation penalties. The National Aeronautics and Space Administration (NASA) Advanced Air Vehicles Program (AAVP) approved the Efficient Quiet Integrated Propulsor (EQuIP) Technical Challenge (TC) under the Advanced Air Transport Technology (AATT) Project to work on next-generation propulsor technologies in collaboration with NASA’s government and industry partners in the Sustainable Flight National Partnership. The EQuIP TC leverages NASA resources with Federal Aviation Administration (FAA) and industry investments under the FAA’s Continuous Lower Energy Emissions and Noise (CLEEN) program to address technical challenges on the propulsor subject to the flow field imposed by the engine-airframe-flight environment. The EQuIP TC complements NASA Aeronautics Research Mission Directorate’s (ARMD) existing investments in sustainable aviation for the next-generation of commercial aircraft and contributes to meeting the noise and efficiency goals set by the Sustainable Flight National Partnership and U.S. Aviation Climate Action Plan. This paper introduces the EQuIP TC, describes key parts of its development, and presents the background research used to scope its impact.

Propulsion↗

DOE OSTI2017

Supporting mobile WEEE collection on demand: A method for multi-criteria vehicle routing, loading and cost optimisation

Highlights: • Multi-criteria method of WEEE mobile collection on demand. • Vehicle routing and loading problem included in the model and algorithm. • Optimisation of collecting vehicles routes including genetic algorithms and fuzzy logic. • Case study for heterogeneous fleet of collection vehicles for medium size city in Poland. • Possible application in a software supporting waste collection on demand. - Abstract: The task of increasing collection rates of waste electrical and electronic equipment (WEEE) is an important challenge in the global economy, and especially in the European Union where stiffer collection targets set out in a new WEEE directive are to be effective by 2019. As the circular economy approach replaces the linear model, resource recycling activities become a priority in waste management policy. As new techniques and possibilities of waste collection systems emerge, opportunities are created for improving efficiency for collection companies and affording benefits for the environment. A model proposed for mobile WEEE collection in this study considers a multi-criteria approach in developing a cost efficient method for pick up on demand from residents or electrical and electronic equipment (EEE) stores. The algorithm used in this model optimises vehicle routes and helps in selecting a number of vehicles from a heterogeneous fleet, incorporating the WEEE loading problem. Using genetic algorithm and fuzzy logic, this model optimises costs and resources required to complete the WEEE collection assuring timely pick up of the waste equipment. The numerical model is verified in a case study in Opole, a city in the south of Poland. The results show that the proposed model can handle the multiple parameter optimisation problem including operational costs, efficient use of vehicles from a fleet, efficient waste loading in vehicles and residents' satisfaction with timely pick up of the waste equipment from a household. Such system can be successfully applied even for large cities. The algorithm provides an opportunity for writing software or mobile apps design to be used by WEEE collection companies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2004

Exhaust Nozzle for a Multitube Detonative Combustion Engine

An improved type of exhaust nozzle has been invented to help optimize the performances of multitube detonative combustion engines. The invention is applicable to both air-breathing and rocket engines used to propel some aircraft and spacecraft, respectively. In a detonative combustion engine, thrust is generated through the expulsion of combustion products from a detonation process in which combustion takes place in a reaction zone coupled to a shock wave. The combustion releases energy to sustain the shock wave, while the shock wave enhances the combustion in the reaction zone. The coupled shockwave/reaction zone, commonly referred to as a detonation, propagates through the reactants at very high speed . typically of the order of several thousands of feet per second (of the order of 1 km/s). The very high speed of the detonation forces combustion to occur very rapidly, thereby contributing to high thermodynamic efficiency. A detonative combustion engine of the type to which the present invention applies includes multiple parallel cylindrical combustion tubes, each closed at the front end and open at the rear end. Each tube is filled with a fuel/oxidizer mixture, and then a detonation wave is initiated at the closed end. The wave propagates rapidly through the fuel/oxidizer mixture, producing very high pressure due to the rapid combustion. The high pressure acting on the closed end of the tube contributes to forward thrust. When the detonation wave reaches the open end of the tube, it produces a blast wave, behind which the high-pressure combustion products are expelled from the tube. The process of filling each combustion tube with a detonable fuel/oxidizer mixture and then producing a detonation repeated rapidly to obtain repeated pulses of thrust. Moreover, the multiple combustion tubes are filled and fired in a repeating sequence. Hence, the pressure at the outlet of each combustion tube varies cyclically. A nozzle of the present invention channels the expansion of the pulsed combustion gases from the multiple combustion tubes into a common exhaust stream, in such a manner as to enhance performance in two ways: (1) It reduces the cyclic variations of pressure at the outlets of the combustion tubes so as to keep the pressure approximately constant near the optimum level needed for filling the tubes, regardless of atmospheric pressure at the altitude of operation; and (2) It maximizes the transfer of momentum from the exhaust gas to the engine, thereby maximizing thrust. The figure depicts a typical engine equipped with a nozzle according to the invention. The nozzle includes an interface section comprising multiple intake ports that couple the outlets of the combustion tubes to a common plenum. Proceeding from its upstream to its downstream end, the interface section tapers to a larger cross-sectional area for flow. This taper fosters expansion of the exhaust gases flowing from the outlets of the combustion tubes and contributes to the desired equalization of exhaust combustion pressure. The cross-sectional area for flow in the common plenum is greater than, or at least equal to, the combined cross-sectional flow areas of the combustor tubes. In the common plenum, the exhaust streams from the individual combustion tubes mix to form a single compound subsonic exhaust stream. Downstream of the common plenum is the throat that tapers to a smaller flow cross section. In this throat, the exhaust gases become compressed to form a compound sonic gas stream. Downstream of the throat is an expansion section, which typically has a bell or a conical shape. (The expansion section can be truncated or even eliminated in the case of an air-breathing engine.) After entering the expansion section, the exhaust gases expand rapidly from compound sonic to compound supersonic speeds and are then vented to the environment. The basic invention admits of numerous variations. For example, the combustion tubes can be arranged around the central axin a symmetrical or asymmetrical pattern other than the one shown in the figure. For another example, the flow cross-sectional area(s) of one or more of the intake ports in the interface section, of the common plenum, the throat, and/or the expansion section can be varied, either symmetrically or asymmetrically, to adjust dynamics of the exhaust stream or to direct the thrust vector away from the central axis.

Bratkovich, Thomas E.↗

NASA NTRS2000

Thermophysical and Thermomechanical Properties of Thermal Barrier Coating Systems

Thermal barrier coatings have been developed for advanced gas turbine and diesel engine applications to improve engine reliability and fuel efficiency. However, the issue of coating durability under high temperature cyclic conditions is still of major concern. The coating failure is closely related to thermal stresses and oxidation in the coating systems. Coating shrinkage cracking resulting from ceramic sintering and creep at high temperatures can further accelerate the coating failure process. The purpose of this paper is to address critical issues such as ceramic sintering and creep, thermal fatigue and their relevance to coating life prediction. Novel test approaches have been established to obtain critical thermophysical and thermomechanical properties of the coating systems under near-realistic temperature and stress gradients encountered in advanced engine systems. Emphasis is placed on the dynamic changes of the coating thermal conductivity and elastic modulus, fatigue and creep interactions, and resulting failure mechanisms during the simulated engine tests. Detailed experimental and modeling results describing processes occurring in the thermal barrier coating systems provide a framework for developing strategies to manage ceramic coating architecture, microstructure and properties.

Zhu, Dongming↗

NASA NTRS2014

Lessons Learned from the Development and Implementation of the Atmosphere Resource Recovery and Environmental Monitoring Project

The Advanced Exploration Systems (AES) Program's Atmosphere Resource Recovery and Environmental Monitoring (ARREM) Project have been developing atmosphere revitalization and environmental monitoring subsystem architectures suitable for enabling sustained crewed exploration missions beyond low Earth orbit (LEO). Using the International Space Station state-of-the-art (SOA) as the technical basis, the ARREM Project has contributed to technical advances that improve affordability, reliability, and functional efficiency while reducing dependence on a ground-based logistics resupply model. Functional demonstrations have merged new process technologies and concepts with existing ISS developmental hardware and operate them in a controlled environment simulating various crew metabolic loads. The ARREM Project's strengths include access to a full complement of existing developmental hardware that perform all the core atmosphere revitalization functions, unique testing facilities to evaluate subsystem performance, and a coordinated partnering effort among six NASA field centers and industry partners to provide the innovative expertise necessary to succeed. A project overview is provided and the project management strategies that have enabled a multidiscipinary engineering team to work efficiently across project, NASA field center, and industry boundaries to achieve the project's technical goals are discussed. Lessons learned and best practices relating to the project are presented and discussed.

Roman, Monsi C.↗

DOE OSTI2025

Unsupervised Image-Based Classification of Corrosion Severity in Automobile Engine Connecting Rods

Corrosion in engine connecting rods is a critical issue in the automotive industry, potentially leading to catastrophic engine failure, monetary losses, and safety hazards. The labor shortage in the industry further emphasizes the need for fast, accurate, and automated corrosion detection methods to ensure appropriate surface treatments can be applied to restore component integrity. We present an unsupervised image-based framework for classifying corrosion severity in automobile engine connecting rods using short-wave infrared (SWIR) and telecentric grayscale imaging. We employ the structural similarity index measure (SSIM) as a dissimilarity metric and the k-medians clustering algorithm for classification. Our algorithm achieves an overall accuracy of 80.64% for SWIR images, with 100% accuracy in classifying highly corroded samples. For grayscale images, the method attains an overall accuracy of 77.42%, with 90.91% accuracy for highly corroded samples. The method’s ability to work with different imaging modalities and its high accuracy in identifying severe corrosion cases make it a promising tool for automated corrosion assessment in the automotive industry, potentially improving efficiency and safety in engine component maintenance.

42 ENGINEERING↗

NASA NTRS2010

Sensor and Actuator Needs for More Intelligent Gas Turbine Engines

This paper provides an overview of the controls and diagnostics technologies, that are seen as critical for more intelligent gas turbine engines (GTE), with an emphasis on the sensor and actuator technologies that need to be developed for the controls and diagnostics implementation. The objective of the paper is to help the "Customers" of advanced technologies, defense acquisition and aerospace research agencies, understand the state-of-the-art of intelligent GTE technologies, and help the "Researchers" and "Technology Developers" for GTE sensors and actuators identify what technologies need to be developed to enable the "Intelligent GTE" concepts and focus their research efforts on closing the technology gap. To keep the effort manageable, the focus of the paper is on "On-Board Intelligence" to enable safe and efficient operation of the engine over its life time, with an emphasis on gas path performance

Garg, Sanjay↗

DOE OSTI2019

Direct Injection 4.3 L Propane Engine Research, Development, and Testing

An industry led project with collaboration from the National Renewable Energy Laboratory (NREL), Oak Ridge National Laboratory (ORNL), and the University of Alabama focused on barriers for propane internal combustion engines to adapt to direct fuel injection technology. Direct injection (DI) technology is a barrier for propane engines that are primarily based on spark ignition gasoline engine platforms, which have increasingly shifted from port injection to DI. Research was conducted develop system requirements aligned with potential post-project commercialization for a mono-fuel propane DI engine based on the General Motors 4.3L V6 gasoline platform. After a key project decision point, the project transitioned to a NREL, ORNL, and University of Alabama focused effort focusing on critical high pressure fuel system controls for DI propane, and exhaust aftertreatment research for mono-fuel propane operation, including industry guidance on particulate matter emissions.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Design Principles for Efficient and Stable Water Splitting Photoelectrocatalysts

Photoelectrochemical water splitting is a promising avenue for sustainable production of hydrogen used in the chemical industry and hydrogen fuel cells. The basic components of most photoelectrochemical water splitting systems are semiconductor light absorbers coupled to electrocatalysts, which perform the desired chemical reactions. A critical challenge for the design of these systems is the lack of stability for the majority of desired semiconductors under operating water splitting conditions. One strategy to address this issue is to protect the semiconductor by covering it with a stabilizing insulator layer, creating a metal–insulator–semiconductor (MIS) architecture, which has demonstrated improved stability. In addition to enhanced stability, the insulator layer may significantly affect the electron and hole transfer, which governs the recombination rates. Furthermore, the insertion of an insulator layer leads to the introduction of additional insulator/electrocatalyst and insulator/semiconductor interfaces. These interfaces can impact the system’s performance significantly, and they need to be carefully engineered to optimize the efficiencies of MIS systems. In this Account, we describe our recent progress in shedding light on the critical role of the insulator and the interfaces on the performance of MIS systems. We discuss our findings by focusing on the concrete example of planar n-type Si protected by a HfO 2 insulator layer and coupled to a Ni or Ir electrocatalyst that performs the oxygen evolution reaction, one of the water splitting half-reactions. To improve our fundamental understanding of the insulator layer, we precisely control the HfO 2 insulator thickness using atomic layer deposition (ALD), and we perform a series of rigorous electrochemical experiments coupled with theory and modeling. We demonstrate that by tuning the insulator thickness, we can control the flux and recombination of photogenerated electrons and holes to optimize the generated photovoltage. Despite optimizing the thickness, we find that the maximum generated photovoltage in MIS systems is often significantly lower than the upper performance limit, i.e., there are additional losses in the system that could not be addressed by optimizing the insulator thickness. We identify the sources of these losses and describe strategies to minimize them by a combination of improving the semiconductor light absorption, removing nonidealities associated with interfacial defects, and finding alternative insulators with improved charge carrier selectivity. Finally, we quantify the improvements that can be obtained by implementing these specific strategies. Our collective work outlines strategies to analyze MIS systems, identify the sources of efficiency losses, and optimize the design to approach the fundamental performance limits. Furthermore, these general approaches are broadly applicable to photoelectrochemical materials that utilize sunlight to produce value-added chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Evaluating the Effects of Transient Purge Flow on Stator-Rotor Seal Performance

Abstract As modern engine designs target higher efficiencies through increased turbine inlet temperatures, critical turbine components are at increased risk of damage from conditions exceeding material melting temperatures. In particular, improperly designed underplatform hardware components are susceptible to damage when hot main gas path flow is ingested into the stator-rotor cavity. While all turbines inherently experience transients during operation, a majority of publicly available turbine studies have been executed using steady operating conditions or inherently transient “blowdown” rigs. For this reason, routine transient events are not well understood. To address this need, the present study utilized a combined experimental and computational approach. The test article is a continuous-duration, one-stage test turbine operating with true-scale engine hardware and seal geometries at engine-representative flow conditions. The nature of the continuous-duration facility uniquely supports the direct assessment of transient events through its ability to transition between steady-state operating conditions. The effects of a transient purge flow were investigated in this study to identify general trends for transient events in a full-scale engine. Results from multiple measurement techniques in the wheelspace region show an interdependence of transient purge flow with a thermal lag of the underplatform hardware. Through experiments conducted at different coolant-to-main gas path temperature ratios, the use of pressure measurements as an indicator of fully purged behavior was introduced, and a thermally driven influence on rim seal performance was quantified. The computational results show good agreement with experimental pressure measurements and provide insight into the physical mechanisms that drive the relationship between pressure and sealing effectiveness measurements observed for the tested geometry.

Engineering↗

DOE OSTI2020

Fermi Level Engineering of Passivation and Electron Transport Materials for p-Type CuBi 2 O 4 Employing a High-Throughput Methodology

Metal oxide semiconductors are promising for solar photochemistry if the issues of excessive charge carrier recombination and material degradation can be resolved, which are both influenced by surface quality and interface chemistry. Coating the semiconductor with an overlayer to passivate surface states is a common remedial strategy but is less desirable than application of a functional coating that can improve carrier extraction and reduce recombination while mitigating corrosion. Here, a data-driven materials science approach utilizing high-throughput methodologies, including inkjet printing and scanning droplet electrochemical cell measurements, is used to create and evaluate multi-element coating libraries to discover new classes of candidate passivation and electron-selective contact materials for p-type CuBi 2 O 4 . The optimized overlayer (Cu 1.5 TiO z ) improves the onset potential by 110 mV, the photocurrent by 2.8×, and the absorbed photon-to-current efficiency by 15.5% compared to non-coated photoelectrodes. It is shown that these enhancements are related to reduced surface recombination through passivation of surface defect states as well as improved carrier extraction efficiency through Fermi level engineering. This work presents a generalizable, high-throughput method to design and optimize passivation materials for a variety of semiconductors, providing a powerful platform for development of high-performance photoelectrodes for incorporation into solar-fuel generation systems.

36 MATERIALS SCIENCE↗