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At least 127 records · Page 7

An 860 MHz Wireless Surface Acoustic Wave Sensor with a Metal-Organic Framework Sensing Layer for CO2 and CH4

Wireless and passive surface acoustic wave (SAW) devices with nanoporous metal-organic framework (MOF) sensing layers are attractive gas sensors for applications in many fields such as energy industries and air pollution control. Here, we report on enhancing the sensitivity and detection limit of zeolitic imidazolate framework-8 (ZIF-8) MOF-coated SAW reflective delay line mass sensors by increasing the operating frequency for sensitive detection of carbon dioxide (CO2) and methane (CH4) at ambient conditions. In particular, we show at least four times higher sensitivity of an 860 MHz (4-μm periodicity) SAW reflective delay line coated with a 240 nm thick ZIF-8 compared to the sensitivity of a 430 MHz (8-μm periodicity) otherwise identical sensor device to the targeted gases. The detection limits of the higher frequency wireless devices for CO2 and CH4 were estimated to be 0.91 vol-% and 7.01 vol-%, respectively. The enhanced sensitivity for higher frequency devices is explained in terms of the frequency dependent acoustic wave energy confinement.

Devkota, Jagannath↗

Hydrogen Sulfide Passivation for p-Type Passivated Emitter and Rear Contact Solar Cells

This work reports on the application of sulfur (S)-passivation to passivated emitter and rear contact (PERC) solar cells. The emitter surface was passivated by hydrogen sulfide (H 2 S) gas phase reaction and capped by a hydrogenated amorphous silicon nitride (a-SiN x :H) layer. The sulfur passivation on a symmetrically n + diffused emitter is shown to lead to an emitter saturation current density (J 0n+ ) of 30 fA/cm 2 at R sheet,n+ ≈ 100 Ω/sq. The application of S-passivation to the emitter surface in the PERC cell structure, with the rear surface passivated by an aluminum oxide (Al 2 O 3 )/a-SiN x :H stack, showed a promising implied open-circuit voltage (iV OC ) of 686 mV before metallization. This iV OC was higher than that for the a-SiN x :H or SiO 2 /a-SiN x :H passivated emitter surfaces (675 and 674 mV, respectively) on PERC cells processed in the same run. However, a significant drop in cell V OC is observed for the S-passivated PERC cell after the completion of device fabrication with laser patterning, screen-printed metal contact deposition, and firing. Nonetheless, an efficiency of ~20% and a V OC of ~650 mV was achieved with an emitter surface passivated by sulfur. We identified that the 760°C contact firing process degrades the S-passivation quality. Furthermore, the surface morphology was studied, and a detailed surface analysis was performed to study the causes of the S-passivated surface degradation.

14 SOLAR ENERGY↗

Reliable bi-functional nickel-phosphate /TiO2 integration enables stable n-GaAs photoanode for water oxidation under alkaline condition

Abstract Hydrogen is one of the most widely used essential chemicals worldwide, and it is also employed in the production of many other chemicals, especially carbon-free energy fuels produced via photoelectrochemical (PEC) water splitting. At present, gallium arsenide represents the most efficient photoanode material for PEC water oxidation, but it is known to either be anodically photocorroded or photopassivated by native metal oxides in the competitive reaction, limiting efficiency and stability. Here, we report chemically etched GaAs that is decorated with thin titanium dioxide (~30 nm-thick, crystalline) surface passivation layer along with nickel-phosphate (Ni-Pi) cocatalyst as a surface hole-sink layer. The integration of Ni-Pi bifunctional co-catalyst results in a highly efficient GaAs electrode with a ~ 100 mV cathodic shift of the onset potential. In this work, the electrode also has enhanced photostability under 110 h testing for PEC water oxidation at a steady current density J ph > 25 mA·cm −2 . The Et-GaAs/TiO 2 /Ni-Pi║Ni-Pi tandem configuration results in the best unassisted bias-free water splitting device with the highest J ph (~7.6 mA·cm −2 ) and a stable solar-to-hydrogen conversion efficiency of 9.5%.

08 HYDROGEN↗

Advanced Anode Manufacturing through Ultra-Thin Li Deposition

During the program's tenure, Applied Materials delivered high-quality (>99.9%) ultra-pure thin lithium metal in sheets and in roll to roll (R2R) formats to program partners for testing, cell builds and evaluation. The thickness range of the deposited Lithium can be controlled between 1-20 μm (<3% nonuniformity). A second R2R tool was commissioned for Li processing and inline CO 2 passivation module was validated. Additionally, S2S deposition tools were used to explore five different surface protection materials for Li-metal. One surface passivation chemistry was down selected for testing and showed improved performance. Key results are summarized in this final report.

25 ENERGY STORAGE↗

Luminescence from Poly-Si Films and its Application to Study Passivating-Contact Solar Cells

In recent years, polycrystalline silicon (poly-Si) based passivating-contact solar cells have received tremendous attention from the solar research community due to its excellent surface passivation and high carrier conductivity. However, the poly-Si films are not transparent to all wavelengths of the solar spectrum. There is often some parasitic absorption in these films. From a different standpoint, as they absorb some light, they can luminesce. This phenomenon provides us with unique opportunities to investigate optoelectronic properties of the films in a fast, contactless, and nondestructive manner. In this work, we report the luminescence phenomenon from poly-Si films used in passivating-contact solar cells. We then utilize this phenomenon to report a range of applications for solar cells including studies of carrier transport behaviors and hydrogenation inside the films.

14 SOLAR ENERGY↗

A new perspective on the initial hydrogenation of $\mathrm{TiFe_{0.9}M_{0.1}}$ ($\mathrm{M = V, Cr, Fe, Co, Ni}$) gained from surface oxide analysis and nucleation thermodynamics

Despite the promise of TiFe-based alloys as low-cost solid-state hydrogen storage materials with mild operating conditions and reasonable hydrogen capacity, their initial hydrogenation process is difficult, hindering broad utilization. The effect of alloying element on the initial hydrogenation kinetics of TiFe alloys, TiFe 0.9 M 0.1 (M = V, Cr, Fe, Co and Ni), was evaluated by analyzing changes to the passivating surface oxide layer that inhibits hydrogen permeation, as well as the ease of initial-stage hydrogen absorption into the underlying matrix. X-ray photoelectron spectroscopy and atom probe tomography revealed key variations in surface oxide compositions and thinning of the passivating oxide layer compared to pure TiFe, which suggests suppressed oxide growth by alloying-induced elemental redistribution. At the same time, density functional theory calculations predicted exothermic formation of hydride nuclei when alloying with V or Cr, as well as a reduced nucleation barrier when alloying with Co or Ni. Overall, these results are consistent with the observed experimental trend of the activation kinetics. We propose that improvements in activation kinetics of TiFe with alloying arises from the combined effect of reduced passivating oxide thickness and easier hydride nucleation, offering a starting point for alloy design strategies towards further improvement.

25 ENERGY STORAGE↗

Ligand Locking on Quantum Dot Surfaces via a Mild Reactive Surface Treatment

At the outermost surface of colloidal QDs are organic surface ligands which dynamically bind and release in solution to control the growth kinetics, control the size/shape of the crystals, passivate surface states, and provide colloidal stability through favorable interactions with the solvent. However, the dynamicity comes at the expense of the stability of the QD suspension. Here, we show that ligands can be permanently locked on the QD surface by a thin layer of an inert metal oxide which forms within the ligand shell, over the headgroup. By interrogating the surface chemistry with different spectroscopic methods, we prove the ligand locking on the QD surface. As a result, an exceptional stability of the coated QD inks is achieved in a wide concentration range, even in the presence of chemically competing surface ligands in solution. We anticipate that this critical breakthrough will benefit different areas related to colloidal QDs, spanning from single-particle studies to displays and solar cells and biological applications. Furthermore, the same chemistry could be easily translated to surface treatments of bulk materials and thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effective Corrosion-Resistant Single-Atom Alloy Catalyst on HfO 2 -Passivated BiVO 4 Photoanode for Durable (≈800 h) Solar Water Oxidation

Green hydrogen (H 2 ) production from solar water splitting necessitates photoelectrodes with superior photoelectrochemical (PEC) activity and durability. However, surface defects and photocorrosion instability—especially at high potentials—limit PEC performance and stability. Herein, the prototypical bismuth vanadate (BiVO 4 ) photoanode is used to demonstrate a holistic approach to improve photocurrent density and long-term stability. In this approach, high surface-area nanostructuring of BiVO 4 is combined with barium (Ba) doping with semi-crystalline hafnium oxide (HfO 2 ) surface passivation and single-atom nickel platinum (NiPt) catalysts. The introduction of Ba 2+ ions into BiVO 4 increases the concentration of conductive V 4+ ions or the ratio of V 4+ ions to oxygen vacancies, avoiding V 5+ dissolution during water oxidation. The semi-crystalline HfO 2 , which serves as a passivation layer, prevents BiVO 4 photocorrosion by suppressing harmful chemical reactions when holes are transferred to the electrolyte. The synergistic use of isolated single-atom and Ni-Pt coordination improves charge transfer at the photoanode/electrolyte interface, leading to enhanced PEC kinetics and stability. As a result, a photoelectrode is demonstrated with ≈6.5 mA cm -2 at 1.23 V versus a reversible hydrogen electrode (RHE) and continuous operation for 800 h with a negligible degradation rate. This work provides a promising approach to improve photoanodes for PEC H 2 production.

08 HYDROGEN↗

The Role of Ocean Circulation in Southern Ocean Heat Uptake, Transport, and Storage Response to Quadrupled CO 2

In response to quadrupled CO 2 , the Southern Ocean primarily uptakes excess heat around 60°S, which is then redistributed by the northward ocean heat transport (OHT) and mostly stored in the ocean or released back to the atmosphere around 45°S. However, the relative roles of mean ocean circulation and ocean circulation change in the uptake and redistribution of heat in the Southern Ocean remain controversial. Here, in this study, a set of climate model experiments embedded with a novel partial coupling technique are used to separate the roles of mean ocean circulation (passive component) and ocean circulation change (active component). For the ocean heat uptake (OHU) response, the mean ocean circulation and ocean circulation change are of equal importance. The OHT response south of 50°S is mainly determined by mean ocean circulation, while the ocean circulation change generates an anomalous southward OHT north of 50°S. A heat budget analysis finds that the divergence of passive OHT acts to balance the passive surface heat gain to the south of ~50°S, while the convergence of active OHT acts to balance the active surface heat loss to the north of ~50°S. Intriguingly, all the increase in ocean heat storage (OHS) is attributable to the passive component, with the ocean circulation change playing almost no role. In the Southern Ocean, both the active and the passive ocean heat transports are overcompensated by the reverse atmospheric heat transport via the Bjerknes compensation.

54 ENVIRONMENTAL SCIENCES↗

High-Performance Passivating Contacts for Si PV Based on Engineered, Doped Nanopinholes through Dielectric Layers

We present a novel, industrially relevant method to fabricate high-performance poly-Si passivating contacts for Si PV. Passivating contacts based on SiOx/poly-Si layer stacks have been implemented in record-efficiency homojunction Si solar cells. In this technology, the carrier transport through a surface-passivating SiOx is enabled either by quantum-tunneling or nanopinholes. The doped poly-Si layer provides charge-carrier selectivity. Previously, the ISFH research group demonstrated a record 26.1% efficient Si homojunction cell, where transport pinholes in ~2 nm SiOx were produced by thermal breakdown at > 1000 degrees C, which is hard to control and is surface morphology-dependent. At room temperature, our new process uses electroless plating of Ag nanoparticles, followed by metal-assisted chemical etching. Nanogalvanic corrosion yields < 20 nm-wide nanopinholes in an insulating > 2 nm SiOx layer. The nanopinholes are filled by a heavily doped a-Si:H overlayer. We drive in the dopants into the Si wafer with subsequent high-temperature annealing. Preferential incorporation of dopants at pinhole locations results in nanoscale p+/n or n+/n junctions near the wafer interface. Each heavily-doped nanoscale pinhole junction collects and transports photogenerated carriers to the cell metal contacts. The density of the engineered nanopinholes can be tuned over a wide range which is critical for optimization of device performance. The same nanogalvanic corrosion principles can be applied to produce doped transport pinholes in well-passivating thick dielectric SiOx/SiNy stacks. Importantly, our process does not rely on thermal breakdown of the dielectric layers and can be applied to textured wafers resulting in Si solar cells with > 20% conversion efficiency.

dielectric layer↗

Electrolyte Reactivity on the MgV 2 O 4 Cathode Surface

Predictive understanding of the solvation-dependent reactivity and molecular interaction of electrolyte ions and solvent molecules on reactive electrodes has been a major challenge but is essential for addressing instabilities and surface passivation that occur at electrode-electrolyte interface (EEI) of multivalent Mg batteries. In this work, the isolated intrinsic reactivities of prominent chemical species present in magnesium bis(trifluoromethanesulfonimide) (Mg(TFSI) 2 ) in diglyme (G2) electrolytes, including ionic (TFSI - , [Mg(TFSI)] + , [Mg(TFSI):G2] + , [Mg(TFSI):2G2] + ) as well as neutral molecules (G2) on magnesium vanadate cathode (MgV 2 O 4 ) surface has been studied using a combination of first-principles calculations and multimodal analysis of well-defined cathode electrolyte interphase (CEI) layers. Here, our calculations show that non-solvated [Mg(TFSI)] + is the strongest adsorbing species on the MgV 2 O 4 surface compared to all other ions while fully solvated [Mg(TFSI):2G2] + are least favorable to decomposition. The cleavage of C-S bonds in TFSI - to form CF 3 - is predicted to be most desired pathway for all ionic species, which is followed by the cleavage of C-O bonds of G2 to yield CH 3 + or OCH 3 - species. The strong stabilization and electron transfer between ionic electrolyte species and MgV 2 O 4 is found to significantly favor these decomposition reactions on the surface compared to intrinsic gas phase dissociation. Experimentally, we used state-of-the-art ion soft landing to selectively deposit mass-selected TFSI - , [Mg(TFSI):G2] + and [Mg(TFSI):2G2] + on MgV 2 O 4 thin film to form well-defined electrolyte-MgV 2 O 4 interface. Analysis of soft-landed interphase using X-ray photoelectron, X-ray absorption near edge structure, electron energy-loss spectroscopies as well as transmission electron microscopy confirmed the presence of decomposition species (e.g., MgFx, carbonates) formed in the interfacial region and the higher amount of MgFx with [Mg(TFSI):G2] + , which corroborates the theoretical observation. Overall, we established the mechanistic pathway for the electrolyte-induced formation of passivating fluorides on MgV 2 O 4 cathode facilitated by the surface adsorption and charge transfer, which provided essential knowledge for rational design of stable electrolytes for multivalent cathodes.

Cathode-electrolyte interphase formation↗

Characterization of dangling bond defects at the crystalline Si/SiO x interface in a polycrystalline Si passivating contact solar cell at room temperature with electrically detected magnetic resonance spectroscopy

Monocrystalline silicon solar cells can achieve photoconversion efficiencies exceeding 26%; however, performance-limiting defects that trap carriers continue to be a challenge. In this work, we have characterized Si solar cells with tunneling SiO x /polycrystalline-Si (poly-Si) passivating contacts (TOPCon) on As-doped Czochralski Si wafers with electrically detected magnetic resonance (EDMR) spectroscopy. We fabricated 2 × 20 mm 2 TOPCon-like mini solar cells with edge passivation alongside larger 4 cm 2 sister cells and obtained similar device characteristics. We performed EDMR spectroscopy at 300 K on two minicells with different degrees of surface passivation based on the recombination parameter, J o , values of 40 and 310 fA/cm2. We optimized the resolution and the signal-to-noise ratio of the EDMR response of the minicells by varying the forward bias voltage and the magnetic field modulation amplitude. We detect two distinct signals with EDMR spectroscopy, an axial-like signal at g = 2.009, 2.0087, and 2.0015, and an isotropic signal at g = 2.0024, which we attribute to Si dangling bonds (P b0 and P b centers) and boron–oxygen related defects, respectively, at or near the c-Si/SiO x interface. The EDMR signals were lower for the cell with a lower value of J o , while the ratio of the two defect populations was very similar. The EDMR signal increases with forward bias but drops to zero at bias voltages >0.5 V, consistent with interface defects within or near the boron-doped emitter depletion region. Our study demonstrates a method to fabricate minicells that can be characterized with EDMR spectroscopy to detect industrially relevant defects in TOPCon cells.

14 SOLAR ENERGY↗

Surface heterogeneity propagation and homogenization for pouch cell-scale Li metal anodes

Li metal anode is a promising candidate for next-generation energy storage systems and is widely explored in Li-ion and solid-state batteries. Despite its potential, Li metal anodes face instabilities during long-term cycling, especially when paired with NMC or sulfur-based cathodes, where Li is cycled at high capacities of 6-8 mAh/cm2, equivalent to a thickness of 30-40 µm. During such extensive utilization, degradation mechanisms such as excessive solid electrolyte interphase (SEI), dendrites, and dead Li emerge, and ultimately lead to sudden failure and reduced cycle life. The origin of the degradation mechanisms stem from surface heterogeneities introduced during Li foil manufacturing and storage [1, 2]. As cycling progresses, the local heterogeneities propagate, resulting in uneven Li utilization and degradation-prone regions across the electrode [3], which consequently induce performance variations at the cell level. This heterogeneity propagation is particularly pronounced in large-format pouch cells in practical applications, where the surface effects are magnified. Without a clear understanding of the multi-scale heterogeneities and the development of surface homogenization methods, the performance consistency will be compromised, hindering the commercialization of Li metal batteries. In this presentation, we investigate the evolution of surface heterogeneity propagation on commercially available Li foils. We discover that inhomogeneous Li utilization appears as early as the first half-cycle of formation, manifesting as localized clusters and pits. In pouch cell configurations, these features exhibit areal density variations across the electrode on a scale of millimeters. To improve Li utilization homogeneity, a scalable mechanical brushing method is introduced to remove the chemically heterogeneous surface passivation layer. Furtherore, the influence of utilization homogeneity on cell-to-cell consistency is evaluated using 32 Li-NMC811 pouch cells divided into as-received and brushed Li groups. On the brushed Li, clusters and pits are no longer observable, and the cells exhibit significantly improved consistency in discharge capacity trajectories and cycle lifetime. Overall, this study highlights the role of Li surface utilization homogeneity on long-term cycling performance. Our research provides a pathway for improving large-area electrode uniformity and establishing evaluation methods for cell-to-cell consistency, both are key steps toward the commercialization of Li metal batteries and beyond. [1] Otto, Svenja-K., et al. "In-depth characterization of lithium-metal surfaces with XPS and ToF-SIMS: toward better understanding of the passivation layer." Chemistry of Materials 33.3 (2021): 859-867. [2] Hatzell, Kelsey, et al. "Aligning lithium metal battery research and development across academia and industry." Joule (2024). [3] Kim, Sangwook, et al. "Calendar life of lithium metal batteries: Accelerated aging and failure analysis." Energy Storage Materials 65 (2024): 103147.

25 - ENERGY STORAGE↗

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗

Probing crystallographic orientation-specific carrier lifetimes in epitaxial Ge/AlAs and InGaAs/InP heterostructures

Current silicon (Si) fin transistors rely on (100) and (110) crystallographically oriented surfaces, and the proposed alternate channel transistor technology comprises materials with higher mobility than Si. Crystallographically oriented epitaxial germanium (Ge) and indium–gallium arsenide (InGaAs) have the potential to replace Si in ultra-low power transistor applications. The higher carrier lifetime is an indication of superior material quality, which relates to the leakage current of a fin transistor. To gain insights into the carrier recombination dynamics in these crystallographically oriented epitaxial Ge and InGaAs layers, the contactless microwave photoconductive decay (μ-PCD) technique at an excitation wavelength of 1500 nm was employed to probe the orientation-specific carrier lifetimes. Highly effective carrier lifetimes >200 ns for (100)Ge/AlAs and (110)Ge/AlAs, and ~80 ns for (111)Ge/AlAs heterostructures, were extracted at room temperature. The measured carrier lifetime has a strong dependence on the surface orientation, which could be related to orientation-specific bulk trap states present within the bandgap of Ge. The (111)Ge orientation has 3 times lower carrier lifetime compared to the (100)Ge and (110)Ge surface orientations. On the other hand, the carrier lifetimes of 125 μs and 10 ns were determined from (100)InGaAs/InP and (110)InGaAs/InP heterostructures, respectively. The reduction in carrier lifetimes in both (111)Ge and (110)InGaAs was due to high electrical conductivity or higher bulk trap states present within the bandgap as well as the facet-dependent growth of the (110)InGaAs layer on InP. A surface passivating layer is indispensable for these orientation-specific epitaxial layers to improve the carrier lifetime. Therefore, the higher carrier lifetimes from technologically interesting (100)Ge and (110)Ge surfaces would offer a path for the development of Ge-based ultra-low power electronics, and optoelectronic devices based on the (100)InGaAs layer.

36 MATERIALS SCIENCE↗

Optimized purification methods for metallic contaminant removal from directly recycled Li-ion battery cathodes

Metallic contaminants pose a significant challenge to the viability of directly recycling Li-ion batteries. To date, few strategies exist to selectively remove metallic impurities from mixtures of shredded end-of-life material (black mass; BM) without concurrently damaging the structure and electrochemical performance of the target active material. We herein present tailored methods to selectively ionize two major contaminants—Al and Cu—while retaining a representative cathode (LiNi 0.33 Mn 0.33 Co 0.33 O 2 ; NMC-111) intact. This BM purification process is conducted at moderate temperatures in a KOH-based solution matrix. We rationally evaluate approaches to increase both the kinetic corrosion rate and the thermodynamic solubility of Al 0 and Cu 0 , and evaluate the impact of these treatment conditions on the structure, chemistry, and electrochemical performance of NMC. Specifically, we explore the impacts of chloride-based salts, a strong chelating agent, elevated temperature, and sonication on the rate and extent of contaminant corrosion, while concurrently evaluating the effects on NMC. The reported BM purification process is then demonstrated on samples of “simulated BM” containing a practically relevant 1 wt% concentration of Al or Cu. Increasing the kinetic energy of the purifying solution matrix through elevated temperature and sonication accelerates the corrosion of metallic Al and Cu, such that ∼100% corrosion of 75 μm Al and Cu particles is achieved within 2.5 hr. Further, we determine that effective mass transport of ionized species critically impacts the efficacy of Cu corrosion, and that saturated Cl – hinders rather than accelerates Cu corrosion by increasing solution viscosity and introducing competitive pathways for Cu surface passivation. The purification conditions do not induce bulk structural damage to NMC, and electrochemical capacity is maintained in half-cell format. Testing in full cells suggests that a limited quantity of residual surface species are present after treatment, which initially disrupt electrochemical behavior at the graphite anode but are subsequently consumed. Process demonstration on simulated BM suggests that contaminated samples—which prior to treatment show catastrophic electrochemical performance—can be recovered to pristine electrochemical capacity. The reported BM purification method offers a compelling and commercially viable solution to address contamination, particularly in the “fine” fraction of BM where contaminant sizes are on the same order of magnitude as NMC and where traditional separation approaches are unfeasible. Thus, this optimized BM purification technique offers a pathway towards viable direct recycling of BM feedstocks that would otherwise be unusable.

25 ENERGY STORAGE↗

The Chemistry, Formation and Passivation of Solid-Electrolyte Interphase (SEI) from FSI- Breakdown at Li-metal Potential

LiFSI-based liquid electrolytes are promising for realizing high Coulombic efficiency (CE) and long cycle life of next-generation high-energy Li metal battery. Nevertheless, the fundamentals of both the chemistry and formation of solid-electrolyte interphase (SEI) in these electrolytes have remained elusive. Herein, we extensively combine electrochemistry and X-ray photoelectron spectroscopy (XPS) to illustrate the reaction pathways of electrolyte decomposition, especially FSI- breakdown, as well as the dissolution trend of various inorganic SEI components. The SEI-forming reactions at Cu/electrolyte interface manifest a potential (E) dependence, driven by direct electron-transfer (ET) and Li underpotential-deposition (Li UPD) at high and low E regions, respectively. By closely correlating the XPS data obtained with and without solvent washing, we demonstrate that not all the products derived from SEI reactions are incorporated into forming a passivating surface layer, with a notable portion dissolving into liquid electrolyte instead. Importantly, high-CE electrolyte dictated by the chemical identity of solvent, is found to exhibit minimized interfacial reactivity of SEI formation enabling more effective interphasial passivation, via preferential integration of passivating ingredients such as LiF. Overall, this work formulates a systematic understating of bridging the SEI chemistry, formation and passivation while identifying key characteristics of high-performance electrolyte for guiding future design.

Bao, Zhenan [SLAC National Accelerator Laboratory ↗

Numerical Analysis of Time Resolved Photoluminescence for Alumina/Cd(Se,Te) Double Heterostructures

Al2O3 has demonstrated excellent Cd(Se,Te) surface passivation. In this work, recombination mechanisms were investigated by comparing simulations of time resolved photoluminescence (TRPL) to PL decay data (320 ns effective lifetime) for Al2O3 /Cd(Se,Te)/Al2O3 double heterostructures. Models were employed to investigate the effects of bulk and surface recombination, electric fields, mobility, and doping by simulating intensity-dependent single- (1PE) and two-photon excitation (2PE) TRPL. 2PE simulations replicate decay behavior while 1PE simulations require attention to charge redistribution. Various coupled mechanisms cannot be distinguished from PL decay data alone. Complementary measurements are required to constrain the model parameters and isolate mechanisms.

CdTe↗