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DOE OSTI2023

Accelerating σ-Bond Metathesis at Sn(II) Centers

Molecular main-group hydride catalysts are attractive as cheap and Earth-abundant alternatives to transition-metal analogues. In the case of the latter, specific steric and electronic tuning of the metal center through ligand choice has enabled the iterative and rational development of superior catalysts. Analogously, building a deeper understanding of electronic structure-activity relationships for molecular main-group hydrides should facilitate the development of superior main-group hydride catalysts. Herein we report a modular Sn–Ni bimetallic system in which we systematically vary the ancillary ligand on Ni, which in turn tunes the Sn center. This tuning is probed using Sn L 1 XAS as a measure of electron density at the Sn center. We demonstrate that increased electron density at Sn centers accelerates the rate of σ-bond metathesis, and we employ this understanding to develop a highly active Sn-based catalyst for the hydroboration of CO 2 using pinacolborane. Additionally, we demonstrate that engineering London dispersion interactions within the secondary coordination sphere of Sn allows for further rate acceleration. Furthermore, these results show that the electronics of main group catalysts can be controlled without the competing effects of geometry perturbations, and that this manifests in substantial reactivity differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Constraining the release of Sn to the ambient melting point following shock loading using time-resolved x-ray diffraction

The formation of liquid following release from a shocked state governs the transition from spall to cavitation and the formation of ejecta in metals. In order to build physics-based models of these processes, it is necessary to critically evaluate the relative importance of kinetics and entropy generation during the release along with the accuracy of multiphase equations of state. Tin (Sn) has served as a testbed for a variety of experiments examining strength and ejecta due to its accessible melt boundary and solid–solid phase transitions. This work presents experiments examining the phase evolution of high purity Sn following the shock and release to ambient stress near the melting point. Sn is found to release to states between its ambient solidus and liquidus from approximately 19 to 33 GPa under uniaxial loading, with the two-phase region being characterized by a reduction in the intensity of the (220), (211) β -Sn doublet. Jetting experiments performed at 27–28 GPa exhibit comparable diffraction patterns with what is observed following the uniaxial release. The solid fractions of β-Sn in the ambient mixed phase region are found to decrease linearly with increasing shock stress as increasing liquid Sn is formed. Here, the results provide much needed information for interpreting measurements of dynamic strength at a high strain rate and experiments examining cavitation and shallow bubble collapse in Sn.

, spall↗

DOE OSTI2026

Mass of 101 Sn and Bayesian extrapolations to the proton drip line

The favorable energy configurations of nuclei at magic numbers of 𝑁 neutrons and 𝑍 protons are fundamental for understanding the evolution of nuclear structure. The 𝑍 = 50 (tin) isotopic chain is a frontier for such studies, with particular interest at and around the doubly magic 100 Sn isotope, for which the mass is a topic of debate. Precise mass values for neutron-deficient isotopes provide necessary anchor points for mass models to test extrapolations near the proton drip line, where experimental studies remain out of reach. In this work, we report a Penning trap mass measurement of 101 Sn . The determined mass excess of −59889.89⁢(96) keV for 101 Sn represents a factor-of-300 improvement over the current precision and indicates that 101 Sn is less bound than previously thought. Mass predictions from a recently developed Bayesian model combination framework employing statistical machine learning and nuclear masses computed within seven global models based on nuclear density functional theory agree within 1⁢𝜎 with experimental masses from the 48 ≤ 𝑍 ≤ 52 isotopic chains. The framework's resilience to new mass data gave confidence in the extrapolation of tin masses down to 𝑁 = 46. Our calculations suggest that 96 Sn is a two-proton drip line nucleus and predict a mass excess of −58090⁢(800) keV for 100 Sn , showing a preference within 1⁢𝜎 for the mass of 100 Sn derived from the 𝛽-delayed 𝑄 value measured at GSI.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

GeSn alloys with ∼21% Sn grown by effusion cell molecular beam epitaxy

We report the epitaxial growth of high quality GeSn alloys with Sn compositions up to 21.25 ± 1% by effusion-cell molecular beam epitaxy (MBE). Achieving such a high Sn content with effusion cells is particularly significant, since these sources typically impose stronger radiative heating on the substrate, which is a factor long considered a major obstacle to high-Sn GeSn epitaxy. Contrary to the prevailing assumption that high growth rates are good for suppressing Sn segregation, we demonstrate that carefully controlled low fluxes, combined with stable ultra-low substrate temperatures, enable significant Sn incorporation even under effusion-cell conditions. Structural analyses by high-resolution x-ray diffraction, reciprocal space mapping, atomic force microscopy, and transmission electron microscopy confirm sharp interfaces, high crystallinity, and smooth surfaces at high Sn contents. Furthermore, these findings establish the feasibility of MBE-grown high-Sn GeSn even under diffusion cells, thereby broadening opportunities for Si-compatible photonic and quantum devices.

Alloys↗

DOE OSTI2026

Optimization of Nb 3 Sn sputtering on SRF structures

Superconducting radiofrequency (SRF) cavities are the key technology to compact, high-efficiency, and cost-effective CW SRF accelerators. Further improvements in the efficiency can be realized by using novel materials such as Nb 3 Sn coated on the inner surface of SRF cavities. The Nb 3 Sn coatings enable cavity operation at 4 K, where the Nb 3 Sn coated cavities are already very efficient and have high intrinsic quality factors. Advances in Nb3Sn coatings on the inner surface of SRF cavities showed the potential for this material to significantly cut the capital and operating costs of SRF accelerators. Several approaches have been and are being investigated for coating SRF cavities with Nb 3 Sn. Magnetron sputtering is a versatile technique in that it has been shown to produce Nb 3 Sn films on flat Nb target in a single phase and a precisely controlled thickness, low defect levels, and a favorable morphology. Deposition of Nb 3 Sn films on SRF cavities have also shown promising RF superconducting properties. However, sputter coating of Nb 3 Sn on SRF cavities requires further development to be used in accelerators.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

The Origin and Evolution of the Normal Type Ia SN 2018aoz with Infant-phase Reddening and Excess Emission

SN 2018aoz is a Type Ia SN with a B-band plateau and excess emission in infant-phase light curves ≲1 day after the first light, evidencing an over-density of surface iron-peak elements as shown in our previous study. Here, we advance the constraints on the nature and origin of SN 2018aoz based on its evolution until the nebular phase. Near-peak spectroscopic features show that the SN is intermediate between two subtypes of normal Type Ia: core normal and broad line. The excess emission may be attributable to the radioactive decay of surface iron-peak elements as well as the interaction of ejecta with either the binary companion or a small torus of circumstellar material. Nebular-phase limits on Hα and He ι favor a white dwarf companion, consistent with the small companion size constrained by the low early SN luminosity, while the absence of [O ι] and He ι disfavors a violent merger of the progenitor. Of the two main explosion mechanisms proposed to explain the distribution of surface iron-peak elements in SN 2018aoz, the asymmetric Chandrasekhar-mass explosion is less consistent with the progenitor constraints and the observed blueshifts of nebular-phase [Fe ιι] and [Ni ιι]. The helium-shell double-detonation explosion is compatible with the observed lack of C spectral features, but current 1D models are incompatible with the infant-phase excess emission, $B_{max}$--$V_{max}$ color, and weak strength of nebular-phase [Ca ιι]. Although the explosion processes of SN 2018aoz still need to be more precisely understood, the same processes could produce a significant fraction of Type Ia SNe that appear to be normal after ~1 day.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

LensWatch. I. Resolved HST Observations and Constraints on the Strongly Lensed Type Ia Supernova 2022qmx (“SN Zwicky”)

Supernovae (SNe) that have been multiply imaged by gravitational lensing are rare and powerful probes for cosmology. Each detection is an opportunity to develop the critical tools and methodologies needed as the sample of lensed SNe increases by orders of magnitude with the upcoming Vera C. Rubin Observatory and Nancy Grace Roman Space Telescope. The latest such discovery is of the quadruply imaged Type Ia SN 2022qmx (aka, "SN Zwicky") at z = 0.3544. SN Zwicky was discovered by the Zwicky Transient Facility in spatially unresolved data. Here we present follow-up Hubble Space Telescope observations of SN Zwicky, the first from the multicycle "LensWatch (www.lenswatch.org)" program. We measure photometry for each of the four images of SN Zwicky, which are resolved in three WFC3/UVIS filters (F475W, F625W, and F814W) but unresolved with WFC3/IR F160W, and present an analysis of the lensing system using a variety of independent lens modeling methods. We find consistency between lens-model-predicted time delays (≲1 day), and delays estimated with the single epoch of Hubble Space Telescope colors (≲3.5 days), including the uncertainty from chromatic microlensing (~1–1.5 days). Our lens models converge to an Einstein radius of ${\theta }_{{\rm{E}}}=({0.168}_{-0.005}^{+0.009})^{\prime\prime} $, the smallest yet seen in a lensed SN system. The "standard candle" nature of SN Zwicky provides magnification estimates independent of the lens modeling that are brighter than predicted by $\sim {1.7}_{-0.6}^{+0.8}$ mag and $\sim {0.9}_{-0.6}^{+0.8}$ mag for two of the four images, suggesting significant microlensing and/or additional substructure beyond the flexibility of our image-position mass models.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1994

The expanding photosphere method applied to SN 1992am AT cz = 14 600 km/s

We present photometry and spectroscopy of Supernova (SN) 1992am for five months following its discovery by the Calan Cerro-Tololo Inter-American Observatory (CTIO) SN search. These data show SN 1992am to be type II-P, displaying hydrogen in its spectrum and the typical shoulder in its light curve. The photometric data and the distance from our own analysis are used to construct the supernova's bolometric light curve. Using the bolometric light curve, we estimate SN 1992am ejected approximately 0.30 solar mass of Ni-56, an amount four times larger than that of other well studied SNe II. SN 1992am's; host galaxy lies at a redshift of cz = 14 600 km s(exp -1), making it one of the most distant SNe II discovered, and an important application of the Expanding Photsphere Method. Since z = 0.05 is large enough for redshift-dependent effects to matter, we develop the technique to derive luminosity distances with the Expanding Photosphere Method at any redshift, and apply this method to SN 1992am. The derived distance, D = 180(sub -25) (sup +30) Mpc, is independent of all other rungs in the extragalactic distance ladder. The redshift of SN 1992am's host galaxy is sufficiently large that uncertainties due to perturbations in the smooth Hubble flow should be smaller than 10%. The Hubble ratio derived from the distance and redshift of this single object is H(sub 0) = 81(sub -15) (sup +17) km s(exp -1) Mpc(exp -1). In the future, with more of these distant objects, we hope to establish an independent and statistically robust estimate of H(sub 0) based solely on type II supernovae.

Schmidt, Brian P.↗

NASA NTRS2003

How Can The SN-GRB Time Delay Be Measured?

The connection between SNe and GRBs, launched by SN 1998bw / GRB 980425 and clinched by SN 2003dh / GRB 030329-with the two GRBs differing by a factor of approximately 50000 in luminosity-so far suggests a rough upper limit of approximately 1-2 days for the delay between SN and GRB. Only four SNe have had nonnegligible coverage in close coincidence with the initial explosion, near the W shock breakout: two Qpe II, and two Type IC, SN 1999ex and SN 1998bw. For the latter, only a hint of the minimum between the UV maximum and the radioactivity bump served to help constrain the interval between SN and GRB. Swift GRB alerts may provide the opportunity to study many SNe through the UV breakout phase: GRB 980425 look dikes -apparently nearby, low- luminosity, soft-spectrum, long-lag GRBs-accounted for half of BATSE bursts near threshold, and may dominate the Swift yield near threshold, since it has sensitivity to lower energies than did BATSE. The SN to GRB delay timescale should be better constrained by prompt UV/optical observations alerted by these bursts. Definitive delay measurements may be obtained if long-lag bursters are truly nearby: The SNe/GRBs could emit gravitational radiation detectable by LIGO-II if robust non-axisymmetric bar instabilities develop during core collapse, and/or neutrino emission may be detectable as suggested by Meszaros et al.

Norris, J. P.↗

NASA NTRS2015

NASA Near Earth Network (NEN), Deep Space Network (DSN) and Space Network (SN) Support of CubeSat Communications

There has been a historical trend to increase capability and drive down the Size, Weight and Power (SWAP) of satellites and that trend continues today. Small satellites, including systems conforming to the CubeSat specification, because of their low launch and development costs, are enabling new concepts and capabilities for science investigations across multiple fields of interest to NASA. NASA scientists and engineers across many of NASAs Mission Directorates and Centers are developing exciting CubeSat concepts and welcome potential partnerships for CubeSat endeavors. From a communications and tracking point of view, small satellites including CubeSats are a challenge to coordinate because of existing small spacecraft constraints, such as limited SWAP and attitude control, low power, and the potential for high numbers of operational spacecraft. The NASA Space Communications and Navigation (SCaN) Programs Near Earth Network (NEN), Deep Space Network (DSN) and the Space Network (SN) are customer driven organizations that provide comprehensive communications services for space assets including data transport between a missions orbiting satellite and its Mission Operations Center (MOC). The NASA NEN consists of multiple ground antennas. The SN consists of a constellation of geosynchronous (Earth orbiting) relay satellites, named the Tracking and Data Relay Satellite System (TDRSS). The DSN currently makes available 13 antennas at its three tracking stations located around the world for interplanetary communication. The presentation will analyze how well these space communication networks are positioned to support the emerging small satellite and CubeSat market. Recognizing the potential support, the presentation will review the basic capabilities of the NEN, DSN and SN in the context of small satellites and will present information about NEN, DSN and SN-compatible flight radios and antenna development activities at the Goddard Space Flight Center (GSFC) and across industry. The presentation will review concepts on how the SN multiple access capability could help locate CubeSats and provide a low-latency early warning system. The presentation will also present how the DSN is evolving to maximize use of its assets for interplanetary CubeSats. The critical spectrum-related topics of available and appropriate frequency bands, licensing, and coordination will be reviewed. Other key considerations, such as standardization of radio frequency interfaces and flight and ground communications hardware systems, will be addressed as such standardization may reduce the amount of time and cost required to obtain frequency authorization and perform compatibility and end-to-end testing. Examples of standardization that exist today are the NASA NEN, DSN and SN systems which have published users guides and defined frequency bands for high data rate communication, as well as conformance to CCSDS standards. The workshop session will also seek input from the workshop participants to better understand the needs of small satellite systems and to identify key development activities and operational approaches necessary to enhance communication and navigation support using NASA's NEN, DSN and SN.

Telecommunication↗

DOE OSTI2025

Electrodepositing Textured Sn Film as a Highly Reversible Anode for Aqueous Batteries

Electrodepositing metal materials in large capacity, at low potential, and with high reversibility serves as the foundation for any aqueous rechargeable battery chemistry to realize the promises of high energy, low cost, and high safety. However, such a foundation is not solid because of the natural tendency of metals to form irregular, nonplanar, and often dendritic morphologies during electrochemical crystallization, which is further amplified in an acidic environment due to the faster kinetics of the coupled proton and mass-transport processes between hydrated metal ions and free metal atoms. As a typical representative, tin metal (Sn 0 ) has potential to achieve high energy in acidic batteries, but its nonuniform large-particle morphology, obtained from traditional electrodeposition, leads to dead Sn 0 formation and deteriorating reversibility, accompanied by the sustained hydrogen evolution reaction (HER) and active Sn 0 loss. Here, in this study, we report quaternary onium salts as effective interfacial cocations that, via selective adsorption, steadily texturize Sn 0 deposition along the (211) plane, which is intrinsically inert to the HER, thus regulating the film deposition process by favoring the formation of planar Sn 0 film. Such Sn 0 film brings exceptional reversibility in acidic electrolytes, which translates into sustained cycling stability at applicable areal capacities in both anode-half cells (similar to 1500 deposition/dissolution cycles at 5 mAh cm -2 ) and full cells (350 charge/discharge cycles at 5 mAh cm -2 ). Textured electrodeposition with intrinsic HER-suppression capability provides a universal solution for diverse metal anode materials in rechargeable energy-dense aqueous batteries.

Sn metal↗

DOE OSTI2023

Selective Catalytic Behavior Induced by Crystal–Phase Transformation in Well–Defined Bimetallic Pt–Sn Nanocrystals

The Pt-Sn bimetallic system is a much studied and commercially used catalyst for propane dehydrogenation. The traditionally prepared catalyst, however, suffers from inhomogeneity and phase separation of the active Pt–Sn phase. Colloidal chemistry offers a route for the synthesis of Pt–Sn bimetallic nanoparticles (NPs) in a systematic, well-defined, tailored fashion over conventional methods. Here, the successful synthesis of well-defined ≈2 nm Pt, PtSn, and Pt 3 Sn nanocrystals with distinct crystallographic phases is reported; hexagonal close packing (hcp) PtSn and fcc Pt 3 Sn show different activity and stability depending on the hydrogen-rich or poor environment in the feed. Moreover, face centred cubic (fcc) Pt 3 Sn/Al 2 O 3 , which exhibited the highest stability compared to hcp PtSn, shows a unique phase transformation from an fcc phase to an L1 2 -ordered superlattice. Contrary to PtSn, H 2 cofeeding has no effect on the Pt 3 Sn deactivation rate. Finally, the results reveal structural dependency of the probe reaction, propane dehydrogenation, and provide a fundamental understanding of the structure–performance relationship on emerging bimetallic systems.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Effects of Sn addition on precipitation of Al–Zn–Mg alloy at early stage of natural aging

The effect of Sn addition on the natural aging behavior of Al–Zn–Mg alloy was investigated using atom probe tomography (APT) experiments and density functional theory (DFT) calculations. The results demonstrate that Sn retards the natural aging behavior by facilitating the preferential formation of Mg–Sn clusters, which suppress the formation of Guinier-Preston zones (I) during the earliest aging stage. Quantitative solute analysis conducted by APT has suggested increasing amount of Mg–Sn clusters in Sn-contained alloy due to their high binding energy, supported by DFT calculations on the Sn.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Improving creep resistance of Al-0.27Zr-0.08Sn (wt%) via cold swaging while maintaining high electrical conductivity

This study investigates the effect of mechanical cold work (0, 50, and 90% cross-sectional area reduction via swaging) on the creep properties of cast aluminum alloys with high electrical conductivity including high-purity Al (HP-Al), Al-0.15Zr (Al-Zr), and Al-0.27Zr-0.08Sn (Al-Zr-Sn, wt%). The Al-Zr alloy is strengthened by Zr in solid solution while the Al-Zr-Sn alloy is additionally strengthened by Al3Zr nanoprecipitates (8 nm diameter). After 90% cold swaging, the alloys exhibit grains elongated along the swaging direction with their widths ranging between 8 and 152 μm perpendicular to the swaging direction. Creep testing at 200 °C shows that the minimum creep rate of all 90% swaged alloys shows high sensitivity to stress, which can be modeled via a threshold stress σth. Increasing swaging magnitude from 0 to 50 to 90% in Al-Zr-Sn improves the creep resistance without reducing electrical conductivity. The formation of subgrains, increased dislocation density, and columnar grain structure in swaged alloys all enhance creep resistance. HP-Al swaged to 90% exhibits much lower creep resistance (σth = 18 MPa) due to subgrain coarsening and the absence of precipitates compared to Al-Zr (σth = 40 MPa) and Al-Zr-Sn (σth = 40 MPa), which maintain stable subgrain structures and benefit from solid solution strengthening and Al3Zr nanoprecipitates, respectively. Although Al3Zr precipitates are known to stabilize the deformed microstructure by pinning grain-boundaries, this work demonstrates that Zr in solid solution alone can effectively stabilize the deformed microstructure resulting in enhanced creep resistance. This effect of Zr solute on stabilizing grain boundaries for creep performance was not previously well-defined in the literature. Despite similar creep performances of Al-Zr and Al-Zr-Sn, the latter shows 70% higher room-temperature microhardness and slightly improved electrical conductivity (56%IACS (International Annealed Copper Standard) vs. 57%IACS, respectively). This work provides new insights into creep mechanisms of cold-worked Al–Zr alloys that will guide the design of heat-resistant Al conductors for high-demand applications.

Coello ramirez, Ismael [Northwestern University,]↗

DOE OSTI2024

Comparative Study of Neutral and Cationic Sn 2 H 2 : Toward Laboratory Detection of the Cation

Group 14 M 2 H 2 isomers (M = Si, Ge, Sn, and Pb) have attracted interest due to their radically differing electronic structures from acetylene. To better understand the Sn–H interactions of the neutral and cationic Sn 2 H 2 structures, we present the most rigorous study of these systems to date. CCSD(T)/cc-pwCVTZ harmonic frequencies are presented as the first predictions for the neutral and cationic species to date. CCSDT(Q)/CBS relative energies are reported using the focal point approach, confirming the butterfly isomer as the global minimum on the potential energy surface for both the neutral and cationic species. In all, there exist 7 minima and 15 transition states. NBO analysis is also performed to elucidate the changes in bond order going from neutral to cation across all isomers of Sn 2 H 2 . Our results provide insights into the important Sn–H interaction and provide guidance for future work that may detect Sn 2 H$^{+}_{2}$ in the laboratory for the first time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Pb:Sn Ratio-Driven Polytypism and Band Modulation in Photoresponsive Hexagonal Perovskitoids

Three-dimensional (3D) perovskites of the formula AMX 3 are known for their excellent optoelectronic properties, but their design is limited by the narrow range of A-site cations that can template the 3D corner-sharing structure, and many of the viable options have already been explored. These materials also face structural instability under environmental conditions. In contrast, 3D hexagonal perovskitoids, with the same chemical formula, may offer enhanced stability and richer structural diversity through a range of corner- and face-sharing octahedral configuration options, providing greater opportunities for structural design; however, challenges such as synthesis complexity and wide band gaps have hindered optoelectronic performance achieved to date. Herein, we synthesized a structural homologous series of mixed-metal hexagonal perovskitoids with the formula APb 1-x Sn x I 3 (x = 0, 0.25, 0.50, 0.75, 1; A = ethylammonium, guanidinium) and identified three polytypes (9R, 12R, 6H) using single-crystal X-ray diffraction (SCXRD). These structures exhibited increasing corner-sharing connectivity with higher Sn content, revealing a previously unobserved relationship between metal composition and structural evolution in perovskitoid materials. The incorporation of Sn reduced the band gap (tunable from 2.51 eV to 1.87 eV) and drove structural transformations, a trend seen also in density functional theory (DFT) calculations, which suggest a thermodynamic preference for Pb at face-sharing sites and Sn at corner-sharing sites. DFT band structure calculations and optical spectroscopy also reveal an anomalous behavior in these materials, which we term polytypic band modulation. This phenomenon combines conventional band bowing with the structural transformations that occur as Sn content increases, as observed in the band gap and in photoluminescence spectra. Photodiodes fabricated from thin films of these materials exhibited stable and pronounced photoresponses across various light intensities over time. Furthermore, the combination of templating 3D perovskitoids with multiple cations and alloying Pb and Sn, suggests a vastly underexplored phase space that offers new parameters to tune perovskitoids.

Cations↗

DOE OSTI2026

Deterministic Control of Sn 3+ Valence and Electronic Phase Evolution in AgSnSe 2

Understanding how unusual oxidation states influence material properties is important for both fundamental science and energy applications. AgSnSe 2 is particularly intriguing because it stabilizes the rare and long-debated Sn 3+ oxidation state, whose true existence and role have remained enigmatic for many years. Here, in this work, we employ X-ray photoelectron spectroscopy, Mössbauer spectroscopy, and X-ray absorption spectroscopy to directly probe the oxidation state of Sn and its evolution under chemical substitution. All experimental evidence consistently confirms the presence of Sn in the +3 oxidation state in AgSnSe 2 . Complementary density functional theory calculations further corroborate this assignment. By substituting Sn with Sb, we systematically control the electronic state and its impact on the material’s physical properties. At low Sb concentrations, AgSnSe 2 retains superconductivity with a transition temperature of ∼5 K, while increasing Sb content deterministically drives a metallic-to-semiconducting transition through progressive suppression of superconductivity. Spectroscopic analyses show that Sb substitution provides deterministic control of the Sn oxidation state, evolving from a uniform +3 configuration in AgSnSe 2 to a mixed +2/+4 valence-skipping regime at higher Sb levels, thereby establishing a direct chemical handle over the material’s electronic phase. This tunability demonstrates that the Sn oxidation state in AgSnSe2 can be precisely engineered through Sb substitution, enabling controlled electronic phase transitions and establishing AgSnSe 2 as a promising platform for quantum and energy-related applications

crystal structure↗

DOE OSTI2024

Diamine chelates for increased stability in mixed Sn–Pb and all-perovskite tandem solar cells

Perovskite tandem solar cells show promising performance but non-radiative recombination and its progressive worsening with time, especially in the mixed Sn–Pb low-bandgap layer, limit performance and stability. Here, in this study, we find that mixed Sn–Pb perovskite thin films exhibit a compositional gradient, with an excess of Sn on the surface – and we show this gradient exacerbates oxidation and increases the recombination rate. We find that diamines preferentially chelate Sn atoms, removing them from the film surface and achieving a more balanced Sn:Pb stoichiometry, making the surface of the film resistive to the oxidation of Sn. The process forms an electrically resistive low-dimensional barrier layer, passivating defects and reducing interface recombination. Further improving the homogeneity of the barrier layer using 1,2-diaminopropane results in more uniform distribution and passivation. Tandems achieve a power conversion efficiency of 28.8%. As a result, encapsulated tandems retain 90% of initial efficiency following 1000 hours of operating at the maximum power point under simulated one-sun illumination in air without cooling.

14 SOLAR ENERGY↗