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At least 91 records · Page 5

Progress Report for W911NF-23-1-0323: Development of Scalable Three-Dimensional Ion Traps for Quantum Information Processing

Trapped atomic ions are a promising platform for scalable quantum information processing. They lead in many key metrics such as single and two qubit gate fidelities, as well as quantum volume. We recently realized novel 3D ion traps with a high resolution 3D-printing process. The traps combine the scalability potential of surface chip traps with the superior trap performance of macroscopic 3D ion traps. Like photolithography, 3D-printing is a digitally defined process and hence allows for rapid iteration between design and fabrication. In contrast to photolithography, it also allows for fully defined 3D structures and, thus, is an ideal process to develop large, well-defined trap arrays with complex 3D electrode structures. Our current goal is to implement key procedures and perform critical measurements that justify incorporation of 3D-printed traps into large-scale quantum computing efforts. En route, we recently realized trapping in horizontal traps that are operating at cryogenic temperatures.

74 ATOMIC AND MOLECULAR PHYSICS↗

Semi Transparent Three-Dimensional Macroporous Quaternary Oxynitride Photoanodes for Photoelectrochemical Water Oxidation

Semi transparent three-dimensional macroporous (3DM) photoanodes based on quaternary oxynitrides have the potential to simultaneously realize superior light harvesting and efficient charge transfer in a tandem photoelectrochemical (PEC) cell. A 3DM CaTaO 2 N photoanode was prepared for the first time on a GaN/Al 2 O 3 substrate via a chemical route, and it exhibits a high transmittance of >60% in the wide solar spectrum and a photoresponse onset at −0.3 V versus the reversible hydrogen electrode (V RHE ) under simulated solar illumination. In particular, a plateau photocurrent density of 0.21 mA cm –2 was achieved at a low potential of 0.4 V RHE , which was 1.6-fold and more than 50-fold higher than a two-dimensional macroporous (2DM) CaTaO 2 N/GaN/Al 2 O 3 photoanode and a conventional particle-based CaTaO 2 N/GaN/Al 2 O 3 photoanode, respectively. The bicontinuous, interconnected pore structure within this 3DM film can improve charge carrier separation and collection by reducing the average diffusion distance for minority carriers toward the electrolyte. Optical measurements and simulations verified the enhanced sunlight harvesting in the 3DM photoanode, which was ascribed to the concentrated distribution of the electric field and multiple scattering. Furthermore, this study provides guidance for future synthesis of highly efficient semitransparent 3DM quaternary oxynitride-based photoanodes for a tandem PEC device.

Layers↗

Accelerating Battery Simulations by Using High Performance Computing and Opportunities with Machine Learning

The US Department of Energy (DOE) estimates that the battery pack cost of $60 per kilowatt-hour while increasing the driving range to over 300 miles and vehicle charging under 15 min or less would enable mass penetration of electric vehicles in the USA by 2030. These projections are based on the currently available high-density cell chemistry combined with a system level design and optimized electrodes. Electrodes for current state-of-the-art lithium-ion cell technology are fabricated from electrode slurry comprising of active material, polymeric binder, and conductive diluent such as carbon black that are coated on metal current collectors such as copper and aluminum. Given these challenging requirements for development of electrical energy storage devices for future transportation needs, a predictive simulation capability which can accelerate design by considering performance and safety implications of different geometry, materials, and chemistry choices is required. In this chapter, we discuss our state-of-the-art three-dimensional modeling framework, providing examples on battery performance and safety simulations. We also present approaches to use machine learning in the context of large datasets that are becoming available.

Allu, Srikanth↗

Synthetic Metal Atomic Layer Deposition Tool (Final Report)

As part of the Cyclotron Road program, Laminera Inc. worked towards development of atomic layer deposition process customizations and tool modifications to produce synthetic metal films at commercial scale and improve the film quality. Today's state-of-the-art in atomic layer deposited synthetic metal technology is only possible at a research-scale because current tools have practical limitations for scaling industrially and generating high conductivity films. Ultrathin, conformal synthetic metal films have many possible applications such as high surface area nanoporous electrodes for supercapacitors and water desalination devices; protective electrode coatings for electrochemical devices; seed layers for semiconductor device fabrication; or metallic component stabilizing coatings that enable enhanced storage density in next generation hard disk drives. The best synthetic metal conductive and plasmonic properties have been demonstrated using sputtering, which relies on high temperature sputtering with substrate dependent and directional growth limiting usage. This work explored refining process and tool modifications to create ultrathin, conformal, synthetic metal films that can be deposited with high quality over complex three-dimensional surfaces.

36 MATERIALS SCIENCE↗

Observation of Kolmogorov turbulence due to multiscale vortices in dusty plasma experiments

We report the experimental observation of fully developed Kolmogorov turbulence originating from self-excited vortex flows in a three-dimensional (3D) dust cloud. The characteristic -5/3 scaling of 3D Kolmogorov turbulence is consistent in both the spatial and temporal energy spectra within a statistical variation of experimental data. Additionally, the 2/3 scaling in the second-order structure function further supports the presence of Kolmogorov turbulence. We also identified a slight deviation in the tails of the probability distribution functions for velocity gradients, a reflection of intermittency. The experiment showed the formation of a dust cloud in the diffused plasma region away from the electrodes. The dust rotation was observed in multiple experimental campaigns under different discharge conditions at different spatial locations and background plasma environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Advanced strategies for the development of porous carbon as a Li host/current collector for lithium metal batteries

Lithium metal is considered a promising anode material for high-energy-density rechargeable batteries because of its high specific theoretical capacity (3860 mAh g -1 , low mass density (0.534 g cm -3 ), and low electrochemical redox potential (-3.04 V vs. the standard hydrogen electrode). However, the high reactivity of Li with the electrolyte leads to the formation of an unstable solid electrolyte interphase (SEI) and continuous side reactions. Also, the non-uniform lithium-ion flux and infinite volume expansion of Li metal cause the growth of Li dendrites. These pose significant safety challenges and cause rapid capacity fading of the lithium metal batteries (LiMBs). To resolve these issues, a low-cost, easily processed, lightweight, high-performance carbon-based porous matrix is considered promising to host Li metal deposition. The three-dimensional (3D) porous nano/microstructured carbon provides sufficient space for Li accommodation during Li plating, buffers the volume changes during Li plating/stripping, and lowers the effective current density contributing to dendrite-free Li deposition. Besides, the outstanding electrochemical and mechanical stability, flexibility and the high electronic conductivity enable the nano/microstructured carbon to serve as both Li host and current collector. The development of 3D carbon/Li composite by mechanical roll-press techniques not only eliminates the complex and risky procedure of making carbon/Li composite based on Li plating or molten Li infusion but also stabilizes the capacity at higher Li plating/stripping rates. Recently, there is an advancement in the lithiophilic decorations of 3D structure to introduce sufficient nucleation sites and the development of artificial SEI on top of the 3D matrix to suppress Li dendrite formation. Such 3D structural modifications create a uniform electric field, lower the Li nucleation overpotential, provide strong mechanical and chemical stability, and stabilize the interface thereby inhibiting the degradation of lithium and the electrolyte. Here we summarize the research progress on porous carbon/Li composites in terms of materials type, structure, fabrication technique, their electrochemical battery performance, and identify the critical challenges that need to be addressed for high-energy-density practical LiMBs.

25 ENERGY STORAGE↗

Effect of Cathode Cooling in Three-Dimensional Simulations of an Atmospheric Pressure Glow Discharge

The Atmospheric Pressure Glow Discharge (APGD) is a relatively simple and versatile plasma source used in a wide range of applications. Active cooling of the cathode can effectively mitigate instabilities, leading to glow-to-arc transitions. This study investigates the effect of varying the degree of cathode cooling in APGD with a planar cathode in helium. The plasma flow model incorporates mass conservation, chemical species transport, momentum conservation, conservation of thermal energy of heavy species and of electrons, and electrostatics. The model is applied to time-dependent simulations through a three-dimensional computational domain describing the whole discharge, without geometric symmetry or steady-state assumptions. Simulations of an experimentally characterized APGD explore the effects of electric current and cathode cooling—ranging from thermally insulated to extreme convective cooling. Results show the formation of an annular region with high electric field over the cathode surface under conditions of high current and low cooling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Enhancing Oxygen Stability in Low-Cobalt Layered Oxide Cathode Materials by Three-Dimensional Targeted Doping

In this project, we propose to develop a new concept and a generic platform that can lead to the greatly enhanced stabilization of all high-energy cathode materials, and in particular high-nickel (Ni) and low-cobalt (Co) oxides. The new concept is a 3D doping technology that hierarchically combines surface and bulk doping. We will use surface doping to stabilize the surface of primary particles and also introduce dopants in the bulk to further enhance oxygen stability, conductivity, and structural stability in low-Co oxides under high voltage and deep discharging operating conditions. This new concept not only will deliver a low-cost, high-energy cathode but also will provide a generic method that can stabilize all high-energy cathodes. The proposed novel 3D doping approach is poised to resolve some longstanding challenges in fundamental doping effects on battery materials as well as to reduce Li-ion batteries’ cost and improve their safety, energy density, and lifetime. To tackle this problem, we have formed a highly complementary multi-university/national labs/industry team to enable a doping-central and systematic investigation of low-Co materials and create a knowledge base for many electrode materials to be used in advanced electric vehicles. The successful execution of the proposed project relies on five components that can be carried out by the complementary team members: (1) a theoretical investigation of the surface and bulk stabilizing dopants (Persson), (2) a precise synthesis of materials with targeted doping (Lin and Xin), (3) development of electrolytes for high-Ni low-Co oxides (Xu), (4) multi-scale characterization of the structures and their interfaces by scanning transmission electron microscopy (SEM) and synchrotron X-ray imaging and spectroscopy tools (Xin and Lin), and (5) pouch cell-level integration (Fan). The UCI-led project will enable a doping-central and systematic investigation of low-Co materials and create a knowledge base for many electrode materials to be used in advanced electric vehicles.

25 ENERGY STORAGE↗

All-organic self-separating three-dimensionally nanoarchitected electrochemical energy storage devices

This work realizes a three-dimensionally (3D) nanoarchitected, all organic, "self-separating" lithium-ion electrochemical energy storage (EES) device that is cycled as a solid-state full cell. The device is enabled by a monolithic carbon anode with a co-continuous pore network, derived from the structure direction of resols by an ultra-large molar mass block copolymer (BCP), poly(styrene-block-2-dimethylaminoethyl methacrylate) (SA). Electropolymerization of a single-phase conductive and redox-active material, poly((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methyl 9,10-dioxo-9,10-dihydroanthracene-2-carboxylate) (PAQEDOT), into the pore space provides the cathode of the cell. The device is electronically contacted to the relevant electrode network enabled by the co-continuous nature of each electrode. Electrochemical processing via cycling against external lithium in an electrolyte generates a solid electrolyte interphase (SEI) as a separator and lithiates the cell electrodes, after which the EES device is cycled in the solid state. While the full cell does not demonstrate high cyclability, the best full cell demonstrates a discharge capacity of 267 milliamp hours per gram (mAh/g). This work marks, to the best of knowledge of the authors, the first example of an all-organic materials derived 3D nanoarchitected EES device, as well as the first design of "self-separating" cell fabrication. Furthermore, generalization of the design to another co-continuous carbon form factor is demonstrated.

FOS: Physical sciences↗

3D Quantification of Elemental Gradients within Heterostructured Particles of Battery Cathodes

Heterogenous architectures with elemental gradients tailored within particles have been pursued to combat the instabilities limiting Ni-rich cathode materials for lithium-ion batteries. The growth of different compositional layers is accomplished during the synthesis of hydroxide precursors. However, the extent to which these concentration gradients are modified during high-temperature reactions is difficult to establish in their intact, spherical form. Here, we show the entire three-dimensional structure of a secondary particle can be resolved nondestructively with differential X-ray absorption spectroscopy (XAS) through transmission X-ray microscopy (TXM). The relationship between particle location and elemental content was fully quantified, with high statistical significance, for heterostructures possessing different compositional gradients in the precursors with 90:5:5 Ni:Mn:Co core compositions. Reduced elemental heterogeneity was observed after high-temperature synthesis, but gradients remained. In conclusion, the methodology presented should be used to guide synthesis while assuring that gains in electrochemical performance are linked to precise elemental distributions at the nanoscale.

25 ENERGY STORAGE↗

Stable electrospray signal on a microfabricated glass chip with three-dimensional open edge and tiered depth geometries

This paper presents the microfabrication and performance of a three-dimensional electrospray ionization (ESI) emitter tip made from glass, which achieves stable current signals important for chemical analysis. Our novel microfabrication process and custom-built signal conditioning hardware provides the advantage of providing accurate features and steady signals. The fabrication process relies on standard microfabrication techniques (i.e., deposition, photolithography, and wet etching). This fabrication method involves the novel application of two layers of positive and negative photoresists in addition to Parafilm® wax tape. Open edge and tiered depth details were successfully created from a multilayer planar mask. This is a benefit for integrated miniaturized and microfluidic systems that often require micro features for their functionality but relatively large millimeter size features for their physical periphery. We demonstrate the fundamental performance of electrospray with this microfluidic chip. The emitter tip was fixed on a linear axis stage with high resolution (10 μm) to finely control the tip distance from a metal counter electrode plate. Further, a custom printed circuit board system was built to safely control four voltages applied to the microchip ports from a single high voltage power supply. To readily form the electrospray, non-aqueous solvents were used for their low viscosity and a constant voltage of +2.7 kV was applied to the sheath electrospray microchannel. The liquid being sprayed was 80/20 (v/v) methanol/acetonitrile with 0.1% acetic acid in the sheath microchannel and with ammonium acetate (10–40 mM) in its remaining microchannels. The electrospray signal was measured in response to varying the distance (1.4 to 1.6mm) between the electrospray emitter tip and a metal counter electrode plate in addition to the varying concentration of the background electrolyte, ammonium acetate. Stable and repeatable electrospray signal showed linear relationships with emitter tip distance and concentration (r 2 ≥ 0.95).

42 ENGINEERING↗

In situ visualization of multicomponents coevolution in a battery pouch cell

Lithium-ion battery (LIB) is a broadly adopted technology for energy storage. With increasing demands to improve the rate capability, cyclability, energy density, safety, and cost efficiency, it is crucial to establish an in-depth understanding of the detailed structural evolution and cell-degradation mechanisms during battery operation. Here, we present a laboratory-based high-resolution and high-throughput X-ray micro–computed laminography approach, which is capable of in situ visualizing of an industry-relevant lithium-ion (Li-ion) pouch cell with superior detection fidelity, resolution, and reliability. This technique enables imaging of the pouch cell at a spatial resolution of 0.5 μm in a laboratory system and permits the identification of submicron features within cathode and anode electrodes. We also demonstrate direct visualization of the lithium plating in the imaged pouch cell, which is an important phenomenon relevant to battery fast charging and low-temperature cycling. Our development presents an avenue toward a thorough understanding of the correlation among multiscale structures, chemomechanical degradation, and electrochemical behavior of industry-scale battery pouch cells.

25 ENERGY STORAGE↗

Modeling Coupled Chemo-Mechanical Behavior of Randomly Oriented NMC811 Polycrystalline Li-Ion Battery Cathodes

This paper develops a three-dimensional, transient, chemo-mechanical model that predicts the performance of single secondary particle Li-ion battery cathodes. The secondary particles are composed of numerous (approximately 60) randomly oriented single-crystal primary particles. The model incorporates concentration-dependent and anisotropic material properties. As much as possible, electrochemical, transport, and structural properties for crystalline NMC811 (Li x Ni 0.8 Mn 0.1 Co 0.1 O 2 ) are taken from prior publications. Weak Van der Waals bonding between primary particles is modeled empirically using a spring analogy, which enables local primary-particle separations (disintegration) and subsequent reattachments. The model fully couples Li diffusion and the mechanical response. Results include predictions of local Li-concentrations and stresses. High stresses are found near grain boundaries, especially when the lattice orientations are greatly misaligned. Particle separations are characterized in terms of a damage parameter. The model is used to predict the effects of design and operating conditions, including charge/discharge rates, cycling scenarios, and particle sizes.

25 ENERGY STORAGE↗

Lithium–Sulfur Batteries: 3D Printed Tools and Assembly Techniques for Repeatable Lab-Scale Coin Cell Manufacturing

The coin cell form factor has become a standard in energy storage research owing to its relatively low cost, low quantity of requisite electroactive material, fast experimental turnover, and capability to generate publishable quality data. Coin cell assembly at the lab-scale requires precise manual alignment of the many internal components of a cell to yield a properly functioning device. Truly repeatable device assembly presents a significant challenge to the acquisition of reliable data. In this report, we present a three-dimensional (3D) printable design for a coin cell alignment device and describe techniques for a generalized workflow to achieve reproducible coin cell assembly of lithium-based batteries. Standardized assembly techniques using readily accessible, purpose-built tools were demonstrated for labscale production of lithium−sulfur (Li−S) coin cells. Li−S batteries fabricated using the alignment device as well as conductive adhesive incorporated workflows afforded coin cells with up to 35% reduction of assembly times, comparable or better functional cell yields, and improved electrochemical device performance with more consistent and up to 150 mAh/g higher average discharge capacities coupled with Coulombic efficiency increases of up to 2.0% over manually aligned cell assembly techniques.

Batteries↗

Scaling deep learning for material imaging with a pseudo 3D model for domain transfer

The recent introduction of deep learning methods for image processing has greatly advanced the characterization of materials using three-dimensional (3D) X-ray imaging techniques. However, deep learning models often have difficulty performing consistently across images owing to unavoidable variations in imaging conditions, which create inconsistencies even for the same material. As a result, networks must frequently be retrained for new datasets, limiting their applicability and generalization. Thus, it is critical to reduce the variations between images to enable a single model to process multiple datasets. Herein, we introduce P3T-Net, a pseudo-3D domain transfer network that transfers diverse 3D images into a uniform domain before processing using deep learning models. Remarkably, P3T-Net enables the reuse of previously trained networks for processing new images and considerably reduces the computational cost of transferring 3D images across domains. These unique capabilities were demonstrated in the following scenarios: (i) image enhancement of fast scans for geological rock and hydrogen fuel cells, (ii) enhancement of images to match the quality of multi-source imaging for lithium-ion batteries, (iii) accurate segmentation of images captured under different conditions, and (iv) tera-scale 3D transfer (10 11 voxels) on a single GPU. Overall, the proposed approach addresses cross-domain inconsistencies across various materials and conditions, thereby enabling more robust and generalizable deep learning solutions for a wide range of material imaging tasks.

25 ENERGY STORAGE↗

Scalable Nano-Scaffold SOFC Anode Architecture Enabling Direct Hydrocarbon Utilization

This project is based on WVU’s pending patents, technology and aims to design and modify the internal surfaces of the Ni/YSZ anode from currently commercially viable Solid Oxide Fuel Cells (SOFCs) using the additive manufacturing process of Atomic Layer Deposition (ALD). The surface architecture/scaffold added onto the internal surface of the anode possesses an engineered nanostructure but it features only commonly-used oxide conductors and electro-catalyst materials. The surface layer possesses a minimum thickness of ~2-40 nm and is solely designed to control the surface reforming reactions and to increase catalytic activity. Three-dimensional (3D) nano scaffold architectures with the noble metal nano-catalyst, low-cost bimetallic catalytic alloys, and nano-scale ionic conducting oxide fully compatible with the state-of-the-art Ni/YSZ anode, were applied to the internal surface of the entire porous SOFC anode using ALD. In the present work, the surface scaffold architecture is essentially multi-functional at the nano-scale, facilitated by the multiple heterostructured interfaces. It will significantly enhance the power density and cell durability for direct hydrocarbon utilization by (1) increasing the number of electrochemical reaction sites to enhance the hydrogen/hydrocarbon oxidation reactions; (2) reducing carbon formation; (3) mitigating the coarsening of backbone Ni phase and the oxidation attack of Ni from oxidants (e.g., H2O, CO2); and (4) promoting the internal reforming capabilities, especially for natural gas applications. ALD is employed to generate stable anode surface architectures that are uniform, precisely controllable at the atomic scale, and accurately repeatable for processing. The engineered anode surface nano-scaffold architecture was cataloged and analyzed using High-resolution Transmission Electron Microscopy (TEM), and cell power/durability performance assessed via comprehensive electrochemical performance testing with commercial specimens and relevant environments using hydrocarbon fuels. To the best of our knowledge, this project is the First Report on ALD of Ni/YSZ. The actual achievement of this Project includes (1). Successful demonstration of 7 types of ALD layers on Ni/YSZ anode, including Co, Ni, Mn, Pt, Ru, ZrOx and multi-functional nano-composite. (1). Conformal coating and subsequently spontaneously pinning the discrete nano-catalyst, including the precious metal nano-catalyst and the Ni and Co catalysts, on the YSZ surface upon the electrochemical operation in the reduced atmosphere. Those nano-catalysts on the ionic-conducting YSZ provided excellent sites for promoting internal reforming; (2). Demonstrated ALD coating increased both catalytic activity and conductivity of Ni/YSZ. Conformal coating provided dopants and introduced additional electrical conducting pathways on the YSZ ionic conductor. The doped surface layer of YSZ with mixed conductivity thus further introduces the active triple phase boundaries adjacent to the ALD-coated nano-catalysts such as Pt, Co, and Ni that are pinned on the YSZ surface. The nano-composite ALD coating on Ni/YSZ anode has significantly increased cell durability; and (3). ALD coating of Ni/YSZ anode increased the power density of the entire cell by 300%. For a long time, the SOFC performance, such as the power density, was deemed hindered by the cathode. The sluggish oxygen reduction reaction (ORR) in the cathode was deemed as hindering the power density of the SOFCs. For the anode-supported commercial SOFCs, the cell performance is considered to be limited by the cathode's performance. For the first time in the field of SOFC, this project has demonstrated that (1). the performance of commercial SOFCs can be further increased by the ALD coating on Ni/YSZ anode backbone. (2). ALD coating on Ni/YSZ fuel electrodes results in the enhancement of power density, and increased reliability, robustness, and endurance of SOFCs, for their application using both hydrogen and hydrocarbon fuels over the entire operating temperature range of 650-800ºC for the inherently functional commercial cells. (3). ALD coating provides alternative approaches of exsolutions for introducing the stable catalyst onto the internal surface of the Ni/YSZ electrode. ALD coating could be much more versatile than exsolution in employing the catalysts with various chemistries onto the various backbones. (4). Due to the negligible amount of ALD materials coated onto the internal surface of the porous cathode of the as-fabricated cells, a peak power density increase up to 300 % induced by ALD coating was simultaneously achieved in terms of both power density and specific power. (5). The ALD coating developed through this project was applied to both the SOFC and Solid Oxide Electrolysis Cells (SOEC). SOEC’s face a similar but more demanding need to improve the fuel electrode's performance. It opens further research directions for electrocatalytic surface nanoionics with a wide range of chemistry. It will revolutionize our ability to render the formation of a nanostructured electrode that has been constantly pursued yet barely achieved for practical SOFC/SOEC applications. The research is also immediately transformative since both the preliminary data and the proposed work are on the direct implantation of nanoionics into the state-of-the-art inherently functional SOCs. It represents an immediate impact on the commercial sectors in SOC technology since the applied ALD processing is computer-controlled ALD coating using the commercial ALD systems, and it is scalable to both the single cells and SOC stacks.

36 MATERIALS SCIENCE↗

Architecting the Third Dimension of Electrochemical Energy Storage

Three-dimensional (3D) architectural design has emerged as a powerful strategy to push electrochemical energy storage (EES) devices beyond the intrinsic limitations of conventional two-dimensional (2D) electrodes. While planar architectures enable high packing density and mature manufacturing, they suffer from limited ion transport and low active-material loading. In contrast, 3D architectures introduce low-tortuosity networks and high surface area that enhance charge and mass transport while supporting thick, high mass-loading electrodes. However, their practicality remains hindered by challenges in volumetric density, mechanical stability, and large-scale manufacturability. Here, this Perspective examines the key evaluation and design principles that govern 3D device performance. We discuss the fundamental trade-offs between porosity, volumetric density, and mechanical stability that shape 3D design and highlight emerging strategies for integrating materials engineering, structural optimization, device integration, computational modeling, and scalable manufacturing. By aligning structural functionality with manufacturability, 3D architectures can evolve from laboratory prototypes to commercially viable energy storage systems.

25 ENERGY STORAGE↗

Unraveling Dimensional Tuning: From 2D to 3D in Covalent Organic Frameworks for Enhanced 2e – Oxygen Reduction Reaction

Covalent organic frameworks (COFs) with a two-dimensional (2D) topology have recently emerged as promising catalyst systems for the electrosynthesis of hydrogen peroxide (H 2 O 2 ) from oxygen (O 2 ). However, designing 2D catalysts to achieve higher H 2 O 2 selectivity presents a significant challenge because of the extensive layer stacking and the aggregated active sites located in the basal planes. It results in lower atom utilization, which requires attention. In this study, we present two functionally similar COFs: one with a 2D rhombus topology (2D@BT_TPA-COF) and another with a three-dimensional (3D) noninterpenetrated pts topology (3D@BT_TPA-COF). Both COFs were utilized for the 2e – oxygen reduction reaction (2e – ORR). Tunning the dimensionality from 2D to 3D resulted in an increase in H 2 O 2 selectivity from approximately ~56% to approximately ~96% (at 0.4 V) and a rise in the turnover frequency (TOF) from 0.05 to 0.08 s –1 at 0.3 V. Nonaggregated active site distribution over 3D topology, featuring higher active site exposure, provides better access to the O 2 /electrolyte and facilitates electron transfer leading to higher 2e – ORR activity and selectivity compared to the 2D counterpart.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗