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At least 163 records · Page 9

Dynamic Decarbonization through Autonomous Physics-Centric Deep Learning and Optimization of Building Operations (Abstract only)

This project directly addresses the primary goal of Area of Interest 2 in the CRADA call: to advance optimization-based integrated energy management systems in commercial and residential buildings. Pacific Northwest National Laboratory (PNNL) and its industry partner PassiveLogic aim to accomplish this by reaching three key objectives. First, to ensure a broad impact in the building controls industry, PNNL will extend its open-source library for predictive control synthesis by augmenting its capabilities with data-driven self-learning of building models and auto-calibration of predictive controllers. The effort will focus on building use cases selected in collaboration with PassiveLogic. The team will specifically address the development of methods for data-driven adaptation of building models, investigation of model architectures that best address specific building types, and automated synthesis of differentiable predictive controllers that optimize diverse objectives. Second, PNNL will collaborate with PassiveLogic to integrate the aforementioned methods with PasiveLogic’s advanced controls platform. The collaborative integration effort will inform the developments under the first objective by providing specific data on the attainable performance of model learning on resource-constrained edge computing platforms. This software integration effort will increase the technical maturity of the developed libraries by exploring the use of software integration tools and methods. Third, PNNL and PassiveLogic will work to improve the technology readiness of the developed predictive controllers by testing their performance in relevant test environments, such as high-fidelity simulation, hardware in the loop, and actual test buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Automation of Laser Plasma Focused Ion Beam Microscopy for Next-Gen Energy Materials

Automation can revolutionize the use of ultrafast laser ablation and plasma-focused ion beam (PFIB) techniques for high-throughput, reproducible cross-sectioning and various sample preparation in materials characterization. As these methods become essential for analyzing complex energy materials and next-generation devices, efficient, standardized workflows are needed to minimize variability and enhance precision. This work highlights our advancements in developing automated processes for sample preparation that integrates machine learning, workflow optimization, and large-scale data acquisition to improve efficiency and scalability in applications such as electrolyzers, photovoltaic cells, and microelectronics. To streamline cross-sectioning and lamella fabrication, we have implemented fully automated workflows that standardize laser ablation and PFIB milling sequences. These workflows incorporate pre-programmed protocols for material removal, alignment, and thinning, reducing user intervention and ensuring consistency across different sample types. Machine learning algorithms further enhance automation by predicting optimal milling strategies and adapting parameters based on material properties and sectioning requirements. This approach significantly improves throughput while maintaining the structural integrity of prepared samples for high-resolution imaging and analysis, including transmission electron microscopy. Beyond sample preparation, our automation platform enables the acquisition of large, high-resolution datasets through serial sectioning, image alignment, and 3D reconstruction. These automated routines facilitate multi-scale characterization, capturing structural and compositional details from the nanoscale to the device level. By reducing variability and increasing efficiency, our automated approach enhances defect analysis, failure diagnostics, and process optimization, accelerating advancements in materials research and device engineering.

36 MATERIALS SCIENCE↗

Remote Off-grid Microgrid Design Support Tool (ROMDST) - An Optimal Design Support Tool for Remote, Resilient, and Reliable Microgrids Phase II - Final Report

The objective of the project is to develop an advanced optimization-based design support tool for AC or DC microgrids in remote locations, where utility grids may not be accessible. The mathematical model and the interface are being developed such that multiple design objectives and criteria/constraints can be easily enabled or disabled, to deliver a flexible tool relevant to a large, diverse user base, and to facilitate future feature developments. The new tool delivered by this project leverages the team’s extensive expertise in the development, testing, deployment, and commercialization of the state-of-the-art Distributed Energy Resources Customer Adoption Model (DER-CAM) – which is the foundation for the new tool. Phase I of the project leverages the microgrid design and decision support tool DER-CAM. Key Phase I developments include the following adaption to the DER-CAM model: a) AC or DC microgrid architectures, b) multiple economic objectives (e.g. single customer vs community vs utility perspective), c) constraints on fuel availability (e.g. total fuel available during outage periods), d) active and reactive power flow constraints for normal and N-1 contingency cases, e) component part load efficiencies (e.g. power electronic devices), and f) interactive data visualization capabilities (e.g. design topology elements). A component library including components’ default technical and economical characteristics was also developed. In Phase II, the project is focused on tool testing and validation, use for real-world microgrid designs, and outreach. Fully developing this tool will have the following impacts: 1) optimal off-grid microgrid designs that replace existing back of the envelope or non-optimal calculations, reducing capital costs and risk of microgrid deployment; 2) removing barriers to microgrid assessments by lowering microgrid soft costs, as the tool is freely usable; 3) reliable and resilient designs that reduce the cost of critical load shedding due to component outages.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Remote Off-grid Microgrid Design Support Tool (ROMDST) - An Optimal Design Support Tool for Remote, Resilient, and Reliable Microgrids (Phase II, Final Report)

The objective of the project is to develop an advanced optimization-based design support tool for AC or DC microgrids in remote locations, where utility grids may not be accessible. The mathematical model and the interface are being developed such that multiple design objectives and criteria/constraints can be easily enabled or disabled, to deliver a flexible tool relevant to a large, diverse user base, and to facilitate future feature developments. The new tool delivered by this project leverages the team’s extensive expertise in the development, testing, deployment, and commercialization of the state-of-the-art Distributed Energy Resources Customer Adoption Model (DER-CAM) – which is the foundation for the new tool. Phase I of the project leverages the microgrid design and decision support tool DER-CAM. Key Phase I developments include the following adaption to the DER-CAM model: a) AC or DC microgrid architectures, b) multiple economic objectives (e.g. single customer vs community vs utility perspective), c) constraints on fuel availability (e.g. total fuel available during outage periods), d) active and reactive power flow constraints for normal and N-1 contingency cases, e) component part load efficiencies (e.g. power electronic devices), and f) interactive data visualization capabilities (e.g. design topology elements). A component library including components’ default technical and economical characteristics was also developed. In Phase II, the project is focused on tool testing and validation, use for real-world microgrid designs, and outreach. Fully developing this tool will have the following impacts: 1) optimal off-grid microgrid designs that replace existing back of the envelope or non-optimal calculations, reducing capital costs and risk of microgrid deployment; 2) removing barriers to microgrid assessments by lowering microgrid soft costs, as the tool is freely usable; 3) reliable and resilient designs that reduce the cost of critical load shedding due to component outages.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advanced Process Control and Dynamic Optimization of Reversible Solid Oxide Cell Systems for Performance and Long-Term Health

This presentation was delivered at the 2024 Hydrogen Annual Merit Review Meeting. It focuses on three aspects of projects focusing on solid oxide cell systems- advanced control including nonlinear model predictive control and traditional control, dynamic optimization with due consideration of chemical degradation over the cell lifetime, dynamic optimization considering physical degradation.

Allan, Douglas↗

The Advanced Mixed Waste Treatment Project: Optimizing use of This National Asset to Treat Challenging Radioactive Waste From Other Department of Energy Sites - 16064

The U.S. Department of Energy's (DOE) Advanced Mixed Waste Treatment Project (AMWTP) is a world-class radioactive waste treatment facility with a highly experienced and innovative workforce located at the Idaho National Laboratory (INL). The AMWTP's state-of-the-art capabilities include a 62-ton super-compactor, remote cutting and sorting, macro-encapsulation systems, assay units, drum repackaging, waste characterization, and payload assembly and loading. Since operations began in 2003, the facility has been the largest shipper for contact-handled (CH) transuranic (TRU) waste to the Waste Isolation Pilot Plant (WIPP). It has successfully processed over 56,000 cubic meters (m{sup 3}) of CH TRU waste and mixed low-level waste (MLLW) from the Idaho Site and approximately 700 m{sup 3} of CH TRU waste from 15 other DOE sites. While the AMWTP is nearing successful completion of its Idaho mission, other DOE environmental cleanup sites will require safe and proven capabilities to treat, package, characterize, and certify legacy radioactive waste inventories well into the next decade. In addition, DOE's national security, nuclear energy, and science programs need sustainable treatment capabilities to support ongoing and new missions. The AMWTP could continue to serve a vital role beyond its current Idaho mission to help address these larger DOE needs. To this end and in recognition that AMWTP's current priority is to complete the processing and removal of Idaho waste, DOE's Office of Environmental Management has initiated strategic planning to assess the feasibility of continued AMWTP operations to treat challenging radioactive waste from other generator sites consistent with existing regulatory agreements. This paper describes AMWTP's unique capabilities and identifies potential benefits, opportunities, and possible solutions to packaging and transportation challenges to fully use AMWTP as a national asset. A panel discussion of subject matter experts with audience participation would help to inform DOE's strategic planning on how best to use this national asset into the future. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

An unstructured mesh based neutronics optimization workflow

We have developed a fully automated workflow to optimize the neutronics performance of the Second Target Station (STS) at the Oak Ridge National Laboratory’s Spallation Neutron Source. The optimization workflow starts with the parametrized solid CAD engineering models and converts them into the unstructured mesh (UM) models for the neutronics calculations with MCNP6.2. Calculations are executed and their results are loaded into the Dakota optimization toolkit. Dakota analyzes the results and proposes new geometry parameters for the next design iteration. The cycle repeats until the optimal parameters are found. The automated CAD to MCNP conversion, the use of high-fidelity UM models, and the use of modern optimizer are the key elements that advance the entire optimization workflow in comparison with the original workflow. The original workflow was based on a simplified constructive solid geometry (CSG) modeling with MCNPX, mcnp_pstudy tool, and an in-house optimizer. Herein to demonstrate the new workflow, we present a case of neutronics optimization of the moderator–reflector assembly (MRA). Apart from the MRA, the workflow can optimize other major STS components, such as the spallation target, neutron beamlines, radiation shielding, and various accelerator components. Importantly, the new workflow opens the door to the advanced multi-physics multi-parameter optimization and has the potential for use in other nuclear physics and accelerator applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Innovative Nuclear Materials Outboard-A Project Specimen Preparation Guide

The Innovative Nuclear Materials (INM) Program was recently established by the U.S. Department of Energy (DOE) to develop advanced material technologies for use in nuclear reactors. The INM program is presently focused on researching in-core non-fueled materials for application in fast spectrum nuclear reactors. The widespread deployment of fast reactors continues to be a prominent aspiration for advanced nuclear technology developers. However, companies working to license these reactors have no choice but to rely on historic material technologies since further optimization and advancement of these materials is impeded by the lack of fast neutron irradiation test facilities. INM-OA is a non-fueled drop-in experiment which will irradiate material specimens of interest to fast reactor applications. This experiment will be irradiated at Idaho National Laboratory (INL) in the Advanced Test Reactor (ATR) outboard-A (OA) position during normal and high temperature steady state (HTSS) cycles. It will include material specimens supplied by members of the INM program and will utilize a cadmium-lined basket to filter out incident thermal neutrons, thus simulating a faster neutron energy spectrum. Material specimens will undergo post-irradiation examination including microscopy and mechanical testing. In addition to absorption reactions, fast neutrons cause microstructural damage in materials by atom displacement, which can cause exacerbated changes in physical properties and behavior. Thus, the data obtained from the INM-OA experiment will be crucial for understanding the engineering-scale behavior of reactor materials. This document is intended for the Principal Investigators providing samples for this project. Topics included are a general description of the experiment, the irradiation experiment/capsule design, sample geometries, number of samples to be provided, documentation to be provided, a brief list potentially useful characterization methods that can be leveraged at INL, and other miscellaneous requirements specific to this project. This document is intended for informational use only.

innovative nuclear materials↗

Deeply Integrated Vehicle Dynamic and Powertrain Operation for Efficient Plug-in Hybrid Electric Bus

The emerging connected and automated vehicle (CAV) technology has opened the door for developing innovative applications and systems to improve vehicle energy efficiency. While most of the recent research has been focused on optimizing vehicle dynamic (VD) and powertrain (PT) operation in isolation, there exists untapped potential to further improve vehicle fuel efficiency through a co-optimization of VD&PT control. In this paper, the authors develop an eco-operation solution for a plug-in hybrid electric bus (PHEB) which seamlessly integrates state-of-the-art CAV applications with advanced powertrain optimization strategies, aiming at improving vehicle energy efficiency and reducing tailpipe emissions. The proposed eco-operation system have 6 components, including traffic/signal timing information acquirement, information integration, scenario identification, powertrain, trajectory planning and a MATLAB/Simulink model for validation and fine-tuning. A deeply integrated vehicle dynamic and powertrain control algorithm is proposed in the paper to optimize the energy-efficiency. Based on the key logic of powertrain control strategy of PHEB, the authors develop a simplified PHEB powertrain model, and put it into their graph based optimization model as the edge cost to derive the optimal speed profile, which is further fine-tuned in the Simulink model. The proposed mode is validated in multiple numerical tests under Eco-Approach and Departure, Eco-Stop and Launch and Eco-Cruise scenarios, and shows significant performance (above 20%) in energy-saving.

Hao, Peng↗

High Performance Solvent for NGCC Flue Gas CO 2 Capture (Final Technical Report)

Amine-based solvent absorption is the most mature and reliable technology for large scale CO 2 capture, dating back to the 1930s when monoethanolamine (MEA) was used to treat acid gases from oil refineries. However, while strategic advancements have optimized the CO2 capture process, the cost of capture remains high, where current estimates suggest that CO 2 capture costs are around $\$$72/tonne of CO 2 . To address this, solvent development and optimization have become a focus of current research. This project sought to develop a high-performance solvent to reduce the overall cost of CO 2 capture from NGCC flue gas. Here, solvent optimization focused on: (1) reducing the energy required for CO 2 desorption in a reboiler, (2) improving CO 2 absorption and desorption reaction kinetics, (3) improving solvent stability, and (4) reducing environmental impacts. Susteon has developed and evaluated a promoted solvent, Sustenol™, for NGCC flue gas CO 2 capture. The optimized Sustenol™ also shows a higher dynamic CO 2 absorption capacity of ~0.5 mol CO2 /mol amine compared to 0.25 mol CO2 /mol amine for 30 wt% MEA. Additionally, the solvent is oxidatively, thermally and hydrothermally stable, which leads to lower solvent loss and emissions. These advancements have resulted in a solvent regeneration energy of 2.16 GJ/tonne of CO 2 which is >30% lower than current state-of-the-art commercial and emerging solvents. Combined with empirical data from the bench and pilot scale testing, this preliminary TEA study indicated the cost of CO 2 capture by Sustenol™ for 97% CO 2 removal at $\$$54/tonne and for 90% removal at $\$$49/tonne, with a pathway to achieve $\$$45/tonne of CO 2 with continued process and solvent advancements. Susteon has developed a technology roadmap to reduce the cost of CO 2 capture to <$\$$45/tonne for NGCC flue gas. Susteon plans to derisk this technology for commercial deployment through comprehensive solvent degradation testing, long-term testing in a pilot plant at 5 tonne CO2 /day and demonstration scale testing at 100 tonne CO2 /day with NGCC flue gas and engineering design studies to qualify Sustenol™ as a drop-in replacement solvent.

03 NATURAL GAS↗

Advanced Multi-Functional Diesel Particulate Filters (CRADA 455)

Diesel engines continue to play crucial roles in many transportation and off-road applications. More specifically, heavy duty diesel engines are expected to remain the only practical option for long-range hauling and many off-road industrial and agricultural applications for decades. As such, the U.S. Department of Energy places high priority on the development and optimization of advanced diesel engine and diesel aftertreatment systems for maximum efficiency and minimum emissions. This collaborative effort between PNNL and Deere & Co. is aimed at enabling the industrially relevant potential of DOCF (diesel oxidation catalyst-on-filter) technology towards the development of the next generation of advanced aftertreatment systems with high performance, superior flexibility, and reduced backpressure.

33 ADVANCED PROPULSION SYSTEMS↗

Increasing Z-Strength and Testing the Capabilities of Twin Screw Extruders in Large Format Polymer Additive Manufacturing

During the first phase of this project, small and large Strangpresse extruders were assessed at Oak Ridge National Laboratory’s Manufacturing Demonstration Facility (MDF). This phase resulted in Strangpresse exclusively licensing some of ORNL’s previously developed extruder technology for high-volume thermoplastic additive manufacturing (AM). Phase II of this project will focus on further development and optimization of Strangpresse extruders for increased efficiency and increased throughput. The objective of this project is to develop a new extruder with a higher output and less energy usage than current AM thermoplastic extruders and to develop and evaluate a new tamper mechanism for increasing Z-strength resulting in an advanced and optimized extruder and tamper system.

42 ENGINEERING↗

Multi-Task with Procter and Gamble (CRADA No. NFE-10-02672)

The purpose of this Cooperative Research and Development Agreement (CRADA) between UT-Battelle, LLC (the “Contractor) and Procter & Gamble Company (the “Participant”) is the development of a research partnership to create new tools, tests and analytical methods to improve the performance, safety and/or environmental quality of chemicals, advanced materials, food products and manufacturing processes. The Participant operates in three global business units: Beauty, Health and Well-Being and Household Care. Some of its worldwide products include Head and Shoulders®, Pantene®, Gillette® razors and personal care products, Crest®, Dawn®, Tide®, Bounty®, Duracell® batteries; and Iams® pet food among others. At its core, however, the Participant is a science driven company. It supports one of the most robust industrial research and development (R&D) programs in the world. The Participant uses this rich foundation of science to drive innovation across all of its product lines. But the innovation process is not confined in-house The Participant pursues an “open innovation” policy, seeking partnerships with scientists and researchers in universities and national laboratories where it can contribute its extensive knowledge assets and collaborate to advance scientific understanding. The research under this multi-task CRADA was directed under the following general task areas and, throughout the duration of this CRADA the work statement was modified to match the needs of the Parties and the direction of the research. (1) Software modeling, simulation and development; (2) Manufacturing Technologies; (3) Supply Chain Optimization, (4) Advanced Materials.

36 MATERIALS SCIENCE↗

Reliable and Efficient Machine Learning (Final Technical Report)

Modern scientific experiments generate massive amounts of data at a pace much faster than humans can manually analyze. While machine learning has revolutionized commercial data analysis (such as recommending movies or recognizing faces), applying these tools to complex scientific discovery is challenging because scientific answers must be precise, interpretable, and adhere to physical laws. The research under this project aims to develop new mathematical tools and computer algorithms specifically designed for scientific applications. Major progress has been made in automatically cleaning and deconstructing messy experimental data, analyzing the visual information of physical phenomena, determining the underlying physical variables, and providing rig orous mathematical analysis of interesting algorithms and concepts widely used in machine learning. This project addressed the critical gap between our ability to generate massive scientific data and our ability to extract interpretable information from it. We established mathematical foundations for Scientific Machine Learning (SciML) aimed at effective data analytics and automated discovery. Our work focused on three core objectives: (1) developing reliable feature extraction methods for dynamic high-dimensional data, (2) establishing mathematical foundations for discovering dynamics via neural networks, and (3) creating rigorous optimization techniques for these models. Key outcomes come from two fronts. On the practical side, they include the development of algorithms that significantly enhance the extraction of signals from field data, as well as the capability to handle situations that exhibit smooth variations or physical stretching due to temperature changes. They also include the creation of an automated framework for discovering fundamental state variables from raw experimental data, demonstrating the ability to identify intrinsic physical dimensions without prior knowledge of the governing laws. On the theoretical front, the research results in theoretical advances in Optimal Transport, a widely used notion in SciML, specifically regarding functions with fixed-size nodal sets, provide sharp bounds relevant to uncertainty quantification. Meanwhile, the outcomes also include the establishment of convergence theories for nonlocal gradient descent methods, enabling robust optimization with noisy data in high-dimensional settings commonly encountered in scientific modeling. The project also helps creating opportunities to train the next generation of researchers, equipping them with the necessary technical skills for today’s workplace and preparing them for future advances.

97 MATHEMATICS AND COMPUTING↗

Separate Effects Validation for Subcooled Boiling in CTF

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which is focused on developing high-fidelity and high-resolution modeling and simulation (M&S) tools for modeling of light water reactors (LWRs). This hub, the Consortium for Advanced Simulation of LWRs (CASL), has developed an LWR simulation tool called the Virtual Environment for Reactor Applications (VERA). The multi-physics capability of VERA is achieved through the coupling of single-physics codes, including CTF (the CASL version of Coolant Boiling in Rod Arrays— Three Field (COBRA-TF)), Michigan Parallel Characteristics Transport (MPACT), BISON, and Materials Performance and Optimization (MPO) Advanced Model for Boron Analysis (MAMBA). As part of its M&S efforts, CASL has identified various challenge problems, including Crud Induced Power Shift (CIPS), Crud-Induced Localized Corrosion (CILC), Pellet-Cladding Interaction (PCI), and Departure from Nucleate Boiling (DNB). This work addresses CASL milestone L2:VVI.P19.03, which focuses on uncertainty quantification of crud, which is relevant to both CIPS and CILC. This is achieved through an analysis and separate effects validation of the thermal hydraulic phenomenon known as subcooled boiling. As part of this work, various sources of experimental data are examined and compared to different options for empirical modeling of subcooled boiling. Through this analysis, a complete understanding of the underlying models and their implementation details are understood. A subset of these data are incorporated into a separate effects validation study of CTF. The Westinghouse Advanced Loop Tester (WALT) and Rohsenow experiments are modeled, and it is shown that the newly-implemented Gorenflo correlation is more accurate than the existing Chen and Thom correlations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Fast neutron irradiation capability in existing thermal test reactors

In today’s nuclear industry, momentum towards the design, licensing, and construction of advanced nuclear demonstration plants, including fast reactors, is at a remarkably high level. However, there are currently no dedicated fast spectrum irradiation test facilities in the United States to support the development of fast spectrum technologies. As a result, a unique situation is developing where most of these plants will likely be designed by leveraging historic nuclear material technologies, but where the further optimization and advancement is impeded by the lack of fast neutron irradiation test facilities. While these circumstances present a challenge, there are some near-term opportunities that, if seized, can still help develop advanced fast reactor materials to a meaningful level of readiness to support future commercial fast reactors. Here, in this paper, we assess the feasibility of using thermal neutron filtering materials in existing experiment positions in the Advanced Test Reactor (ATR) at Idaho National Laboratory and the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory to simulate fast reactor test environments for nonfuel test specimens. Items investigated include the incident neutron flux (both fast and thermal), the total neutron fluence and cumulative atom displacements, helium production rate due to thermal neutron capture in nickel, and the potential impact that the thermal neutron filter material has on the cycle length of a given reactor. It is concluded that while HFIR provides the highest fast flux of all the options investigated, it is limited in the amount of thermal neutron filtering material that can be introduced into an experiment position without significantly affecting the operation of the reactor. Irradiation in Outboard-A positions in the ATR was found to be the most realistic near-term experiment avenue due to having ample space for several capsules in a moderately fast flux.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An optimization framework for the network design of advanced district thermal energy systems

In this work, a topology optimization framework for district thermal energy systems is presented. The framework seeks to address the questions, for a given district, "What is the best subset of buildings to connect to a district thermal energy system, and by what network should they be connected, to minimize life cycle cost?" A particle swarm optimization approach is validated to address the selection of the subset of buildings, and a graph theory-based heuristic is validated for selection of the network topology for any candidate subset of buildings. The framework is applied to a prototypical urban district for illustrative purposes. Additionally, modeling of prototypical districts revealed reductions in source energy use intensity for heating and cooling of 21-25% through the use of advanced district energy systems relative to code-compliant, building level systems. The framework identifies solutions with life cycle cost values 14% to 72% lower than that of base case scenarios based on conventional design approaches, depending on the base case scenario selected. Analysis of the search space indicates that topology optimization facilitates reductions in life cycle cost, source energy use intensity, and carbon emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Electronic Band Structures of a Germanium Halide Perovskite Semiconductor

CsGeX 3 , a class of halide perovskites, is an emergent semiconductor with ferroelectricity and potential optoelectronic properties that can be harnessed for device applications. However, measurements of the electronic structure for this class of material are still lacking. Here, in this work, we report, for the first time, the experimental band structures of CsGeI 3 , a ferroelectric halide perovskite semiconductor, through angle-resolved photoemission spectroscopy (ARPES). The crystals were cleaved along both the (110) and (111) surfaces, facilitating the observation of clear valence band dispersions in several high-symmetry momentum directions. The observed valence band is characterized by a small hole effective mass of ∼0.1m 0 at the valence band maximum, without notable spectral signatures associated with the Rashba effect. Our experimental measurements are supported by electronic structure calculations in the DFT + G0W0 framework, enabling assessment of the band orbital characteristics, dispersion, and spin-splitting. This work unveils the intrinsic electronic and transport properties of CsGeX 3 , thereby advancing the optimization of the optoelectronic properties of this class of materials.

angle-resolved photoemission spectroscopy↗