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Yang, Yi

Publications and source records attributed to Yang, Yi.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Amidination of ligands for chemical and field-effect passivation stabilizes perovskite solar cells

Surface passivation has driven the rapid increase in the power conversion efficiency (PCE) of perovskite solar cells (PSCs). However, state-of-the-art surface passivation techniques rely on ammonium ligands that suffer deprotonation under light and thermal stress. We developed a library of amidinium ligands, of interest for their resonance effect–enhanced N–H bonds that may resist deprotonation, to increase the thermal stability of passivation layers on perovskite surfaces. This strategy resulted in a >10-fold reduction in the ligand deprotonation equilibrium constant and a twofold increase in the maintenance of photoluminescence quantum yield after aging at 85°C under illumination in air. Here, implementing this approach, we achieved a certified quasi–steady-state PCE of 26.3% for inverted PSCs; and we report retention of ≥90% PCE after 1100 hours of continuous 1-sun maximum power point operation at 85°C.

Yang, Yi↗
DOE OSTI2024

Two Spacers, One Perovskite: Integrating Ruddlesden–Popper and Dion–Jacobson Halide Perovskites

Hybrid organic–inorganic perovskites are a rapidly developing class of materials due to their desirable properties for optoelectronic applications such as their ease of synthesis, solution-processable film formation, tunable band gap, strong photoluminescence, good charge carrier mobilities, and high defect tolerance. Here, we present a novel 2D perovskite motif that seamlessly integrates the structural elements from both Ruddlesden–Popper and Dion–Jacobson halide perovskites. We demonstrate the incorporation of two different organic spacer cations in an ordered manner in 5 novel 2D perovskite iodide materials. Both a cyclic diammonium cation 3-(aminomethyl)piperidinium (3AMP) and a linear alkyl monoammonium cation (Cn = C n H 2n+4 N, n = 4–8) are present in distinct alternating layers, making the new series (Cn) 2 (3AMP)[PbI 4 ] 2 . The crystallization of these materials was optimized through careful temperature control to obtain precise crystal structures via single-crystal X-ray diffraction (XRD) which confirmed the presence of the two cations in distinct layers. The influence of the two spacers on optical properties including the band gaps and photoluminescence spectra are found to more closely resemble (3AMP)PbI 4 than (Cn) 2 PbI 4 , which can be attributed to the amount of distortion imposed by the 3AMP spacer on the lead iodide layers. The findings are supported by density functional theory calculations. The strong photoelectric response of solution-processed thin films shows the potential of these materials in photodetectors or photovoltaics. This unprecedented amalgamation of RP–DJ in (Cn) 2 (3AMP)[PbI 4 ] 2 in a structurally ordered fashion suggests a potential vastly underexplored phase space of 2D perovskites in which there are chemically different spacers in distinct layers of the structure, providing an additional parameter to tune perovskite properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The Most Distant H i Galaxies Discovered by the 500 m Dish FAST

Abstract Neutral hydrogen (Hi) is the primary component of the cool interstellar medium (ISM) and is the reservoir of fuel for star formation. Owing to the sensitivity of existing radio telescopes, our understanding of the evolution of the ISM in galaxies remains limited, as it is based on only a few hundred galaxies detected in Hibeyond the local Universe. With the high sensitivity of the Five-hundred-meter Aperture Spherical radio Telescope (FAST), we carried out a blind Hisearch, the FAST Ultra-Deep Survey, which extends to redshifts up to 0.42 and a sensitivity of 50μJy beam −1 . Here, we report the first discovery of six galaxies in Hi atz> 0.38. For these galaxies, the FAST angular resolution of ∼4′ corresponds to a mean linear size of ∼ 1.3 h 70 − 1 Mpc. These galaxies are among the most distant Hiemission detections known, with one having the most massive Hicontent ( 10 10.93 ± 0.04 h 70 − 2 M ⊙ ). Using recent data from the DESI survey and new observations with the Hale, Big Telescope Alt-azimuth, and Keck telescopes, optical counterparts are detected for all galaxies within the 3σpositional uncertainty ( 0.5 h 70 − 1 Mpc) and 200 km s −1 in recession velocity. Assuming that the dominant source of Hiis the identified optical counterpart, we find evidence of evolution in the Hicontent of galaxies over the last 4.2 Gyr. Our new high-redshift Higalaxy sample provides the opportunity to better investigate the evolution of cool gas in galaxies. A larger sample size in the future will allow us to refine our knowledge of the formation and evolution of galaxies.

Astronomy & Astrophysics↗
DOE OSTI2024

Within‐field soil moisture variability and time‐invariant spatial structures of agricultural fields in the US Midwest

Abstract Understanding soil moisture variability and estimating high‐resolution soil moisture at subfield to field scales is critical for agricultural research and applications. However, systematic investigation of subfield scale soil moisture variability over cropland is still lacking from both measurement and satellite remote sensing. In this study, we aim to investigate (1) the characteristics of within‐field soil moisture distribution over typical cropland in the US Midwest and (2) the capabilities of satellite remote sensing in capturing the spatiotemporal variabilities of soil moisture at subfield scale. Specifically, we conducted soil moisture field experiments in three typical commercial agricultural fields (∼85 acres per field) in central Illinois, representing typical commercial farmlands in the US Midwest, and compared the soil moisture measurements with satellite remote sensing data from optical and active microwave sensors. In each field, dense soil moisture samples (spaced at 50–60 m) were obtained for two dry down events in May and July 2021, and multiple long‐term soil moisture stations were installed. We found prominent time‐invariant spatial structures of soil moisture at within‐field scales both during the dry down period and over longer time scales, and the stability is minimally affected by plant water use during the growing season. Comparing the field campaign measurements with satellite remote sensing data, we found that surface reflectance of shortwave infrared bands, such as SWIR1 (1610 nm) from Sentinel‐2, can capture relative surface soil moisture patterns at within‐field scales, but their relationships with soil moisture are field specific. These findings and the improved understanding of within‐field soil moisture dynamics could potentially help future research on high‐resolution soil moisture estimation with multi‐source remote sensing data.

Yang, Yi↗
DOE OSTI2024

Identifying multiple synergistic factors on the susceptibility to stress relaxation cracking in variously heat-treated weldments

The 347H austenitic stainless steel has been widely used for pressure vessels and pipeline (PVP) applications due to its excellent creep and corrosion resistance, which fit ideally to the harsh conditions in petrochemical industries, fossil fuel or nuclear power plants, and modern energy storages. However, a failure mode has been commonly observed with cracks emerging at the heat affected zone (HAZ) of weldments during post-weld heat treatment (PWHT) or under intermediate to high temperature service conditions. This phenomenon is termed as Stress Relaxation Cracking (SRC) since the purpose of PWHT is to relieve the welding-induced residual stress fields, or as Stress Age Cracking (SAC) if failure happens during service. A leading literature explanation of this failure suggests that the residual stress relaxation and the precipitation dissolution and/or re-precipitation occur in the same temperature range, which can lead to locally high strains and thus to crack at the grain boundaries. Since in situ spatial measurements of residual stress fields, microstructural evolution, and failure processes are nearly infeasible, this work recourses to a micromechanical finite element framework that models the high temperature failure as the nucleation and growth of grain boundary cavities, whereas various parameters such as thermomechanical loading history and its evolution, the competition of grain-interior dislocation creep and grain-boundary diffusion in failure lifetime, and microstructural heterogeneities (such as the precipitate free zone near grain boundaries) can be quantitatively incorporated. It can be concluded from these microstructure-explicit simulations that an accurate knowledge of residual stress evolution and a carefully calibrated set of material constitutive parameters are the essential prerequisites for lifetime predictions. The understanding of individual governing factors also leads to a mechanistic interpretation of the observed SRC susceptibility C-curves. In conclusion, these results suggest that the criticality of residual stress evolution, but not the precipitation-induced local strains, be the leading factor for SRC.

347H stainless steel weldments↗
DOE OSTI2024

A thermotropic liquid crystal enables efficient and stable perovskite solar modules

Perovskite solar cells have seen impressive progress in performance and stability, yet maintaining efficiency while scaling area remains a challenge. Here we find that additives commonly used to passivate large-area perovskite films often co-precipitate during perovskite crystallization and aggregate at interfaces, contributing to defects and to spatial inhomogeneity. Here we develop design criteria for additives to prevent their evaporative precipitation and enable uniform passivation of defects. We explored liquid crystals with melting point below the perovskite processing temperature, functionalization for defect passivation and hydrophobicity to improve device stability. We find that thermotropic liquid crystals such as 3,4,5-trifluoro-4'-(trans-4-propylcyclohexyl)biphenyl enable large-area perovskite films that are uniform, low in defects and stable against environmental stress factors. We demonstrate modules with a certified stabilized efficiency of 21.1% at an aperture area of 31 cm 2 and enhanced stability under damp-heat conditions (ISOS-D-3, 85% relative humidity, 85 °C) with T 86 (the duration for the efficiency to decay to 86% of the initial value) of 1,200 h, and reverse bias with (ISOS-V-1, negative maximum-power-point voltage) and without bypass diodes.

14 SOLAR ENERGY↗
DOE OSTI2023

Enhanced Photostability of “Hollow” Mixed Halide Wide-Bandgap Perovskite Films

We investigated the role of hollow perovskite architectures in enhancing the photostability of mixed halide wide-bandgap perovskites. We focused on mitigating photoluminescence (PL) peak shifts caused by phase segregation when exposed to light. By analyzing the optical and structural properties of mixed bromide/iodide hollow perovskite thin films, we observed that the incorporation of hollow structures reduced the ionic conductivity in the films, leading to improved photostability compared to non-hollow perovskite samples. The mixed halide hollow perovskite thin films exhibited increased the bandgap. High-power laser irradiation was used to induce phase segregation, and changes in the PL emission spectra were measured as a function of irradiation time. The mixed halide hollow perovskite thin films exhibited reduced PL peak shifts compared to the control samples. The inclusion of enI 2 (en = ethylenediamine) resulted in a reduction in the overall ionic conductivity of the films and a lower trap density. Hollow perovskite films incorporated in solar cells indicated that while the initial efficiency of the solar cells decreased with increasing enI 2 concentration, the open-circuit voltage value increased, potentially due to the slight enhancement of the band gap. Furthermore, the findings highlight the potential of hollow perovskite architectures in enhancing the photostability of mixed halide perovskites

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity

Immune checkpoint blockade is effective for some patients with cancer, but most are refractory to current immunotherapies and new approaches are needed to overcome resistance. The protein tyrosine phosphatases PTPN2 and PTPN1 are central regulators of inflammation, and their genetic deletion in either tumour cells or immune cells promotes anti-tumour immunity. However, phosphatases are challenging drug targets; in particular, the active site has been considered undruggable. Here we present the discovery and characterization of ABBV-CLS-484 (AC484), a first-in-class, orally bioavailable, potent PTPN2 and PTPN1 active-site inhibitor. AC484 treatment in vitro amplifies the response to interferon and promotes the activation and function of several immune cell subsets. In mouse models of cancer resistant to PD-1 blockade, AC484 monotherapy generates potent anti-tumour immunity. We show that AC484 inflames the tumour microenvironment and promotes natural killer cell and CD8 + T cell function by enhancing JAK–STAT signalling and reducing T cell dysfunction. Inhibitors of PTPN2 and PTPN1 offer a promising new strategy for cancer immunotherapy and are currently being evaluated in patients with advanced solid tumours (ClinicalTrials.gov identifier NCT04777994). More broadly, our study shows that small-molecule inhibitors of key intracellular immune regulators can achieve efficacy comparable to or exceeding that of antibody-based immune checkpoint blockade in preclinical models. Finally, to our knowledge, AC484 represents the first active-site phosphatase inhibitor to enter clinical evaluation for cancer immunotherapy and may pave the way for additional therapeutics that target this important class of enzymes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

A review of materials used in tomographic volumetric additive manufacturing

Abstract Volumetric additive manufacturing is a novel fabrication method allowing rapid, freeform, layer-less 3D printing. Analogous to computer tomography (CT), the method projects dynamic light patterns into a rotating vat of photosensitive resin. These light patterns build up a three-dimensional energy dose within the photosensitive resin, solidifying the volume of the desired object within seconds. Departing from established sequential fabrication methods like stereolithography or digital light printing, volumetric additive manufacturing offers new opportunities for the materials that can be used for printing. These include viscous acrylates and elastomers, epoxies (and orthogonal epoxy-acrylate formulations with spatially controlled stiffness) formulations, tunable stiffness thiol-enes and shape memory foams, polymer derived ceramics, silica-nanocomposite based glass, and gelatin-based hydrogels for cell-laden biofabrication. Here we review these materials, highlight the challenges to adapt them to volumetric additive manufacturing, and discuss the perspectives they present. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2023

Engineering ligand reactivity enables high-temperature operation of stable perovskite solar cells

Perovskite solar cells (PSCs) consisting of interfacial two- and three-dimensional heterostructures that incorporate ammonium ligand intercalation have enabled rapid progress toward the goal of uniting performance with stability. However, as the field continues to seek ever-higher durability, additional tools that avoid progressive ligand intercalation are needed to minimize degradation at high temperatures. We used ammonium ligands that are nonreactive with the bulk of perovskites and investigated a library that varies ligand molecular structure systematically. Here, we found that fluorinated aniliniums offer interfacial passivation and simultaneously minimize reactivity with perovskites. Using this approach, we report a certified quasi–steady-state power-conversion efficiency of 24.09% for inverted-structure PSCs. In an encapsulated device operating at 85°C and 50% relative humidity, we document a 1560-hour T85 at maximum power point under 1-sun illumination.

14 SOLAR ENERGY↗
DOE OSTI2023

Three-dimensional imaging using coherent x rays at grazing incidence geometry

We have developed a three-dimensional coherent diffraction imaging algorithm to retrieve phases of diffraction patterns of samples in grazing incidence small angle x-ray scattering experiments. The algorithm interprets the diffraction patterns using the distorted-wave Born approximation instead of the Born approximation, as in this case, the existence of a reflected beam from the substrate causes the diffraction pattern to deviate significantly from the simple Fourier transform of the object. Detailed computer simulations show that the algorithm works. Verification with real experiments is planned.

Yang, Yi↗
DOE OSTI2023

Fuel and fuel blend for internal combustion engine

A fuel or fuel blending agent for an internal combustion engine includes a ketone compound that is a C 4 to C 10 branched acyclic ketone, cyclopentanone, or a derivative of cyclopentanone. The ketone compound may be blended with a majority portion of a fuel selected from the group consisting of: gasoline, diesel, alcohol fuel, biofuel, renewable fuel, Fischer-Tropsch fuel, or combinations thereof. The ketone compound may be derived from biological sources. A method for powering an internal combustion engine with a fuel comprising the ketone compound is also provided.

Dec, John E.↗
DOE OSTI2023

Sulfurospirillum diekertiae sp. nov., a tetrachloroethene-respiring bacterium isolated from contaminated soil

Two anaerobic, tetrachloroethene- (PCE-) respiring bacterial isolates, designated strain ACS DCE T and strain ACS TCE , were characterized using a polyphasic approach. Cells were Gram-stain-negative, motile, non-spore-forming and shared a vibrioid- to spirillum-shaped morphology. Optimum growth occurred at 30°C and 0.1–0.4% salinity. The pH range for growth was pH 5.5–7.5, with an optimum at pH 7.2. Hydrogen, formate, pyruvate and lactate as electron donors supported respiratory reductive dechlorination of PCE to cis-1,2-dichloroethene (cDCE) in strain ACS DCE T and of PCE to trichloroethene (TCE) in strain ACS TCE . Both strains were able to grow with pyruvate under microaerobic conditions. Nitrate, elemental sulphur, and thiosulphate were alternative electron acceptors. Autotrophic growth was not observed and acetate served as carbon source for both strains. The major cellular fatty acids were C 16:1 ω7c, C 16:0 , C 14:0 and C 18:1 ω7c. Both genomes feature a circular plasmid. Strains ACS DCE T and ACS TCE were previously assigned to the candidate species 'Sulfurospirillum acididehalogenans'. Here, based on key genomic features and pairwise comparisons of whole-genome sequences, including average nucleotide identity, digital DNA–DNA hybridization and average amino acid identity, strains ACS DCE T and ACS TCE , 'Ca. Sulfurospirillum diekertiae' strains SL2-1 and SL2-2, and the unclassified Sulfurospirillum sp. strain SPD-1 are grouped into one distinct species separate from previously described Sulfurospirillum species. Compared to Sulfurospirillum multivorans and Sulfurospirillum halorespirans, which dechlorinate PCE to cDCE without substantial TCE accumulation, these five strains produce TCE or cDCE as the end product. In addition, some cellular fatty acids (e.g., C 16:0 3OH, C 17:0 iso 3OH, C 17:0 2OH) were detected in strains ACS DCE T and ACS TCE but not in other Sulfurospirillum species. On the basis of phylogenetic, physiological and phenotypic characteristics, 'Ca. Sulfurospirillum acididehalogenans' and 'Ca. Sulfurospirillum diekertiae' are proposed to be merged into one novel species within the genus Sulfurospirillum, for which the name Sulfurospirillum diekertiae sp. nov. is proposed. Finally, the type strain is ACS DCE T (=JCM 33349 T = KCTC 15819 T =CGMCC 1.5292 T ).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Combining Remotely Sensed Evapotranspiration and an Agroecosystem Model to Estimate Center‐Pivot Irrigation Water Use at High Spatio‐Temporal Resolution

Abstract Estimating irrigation water use accurately is critical for sustainable irrigation and studying terrestrial water cycle in irrigated croplands. However, irrigation is not monitored in most places, and current estimations of irrigation water use has coarse spatial and/or temporal resolutions. This study aims to estimate irrigation water use at the daily and field scale through the proposed model‐data fusion framework, which is achieved by particle filtering with two configurations (concurrent, CON, and sequential, SEQ) by assimilating satellite‐based evapotranspiration (ET) observations into an advanced agroecosystem model, ecosys . Two types of experiments using synthetic and real ET observations were conducted to study the efficacy of the proposed framework for estimating irrigation water use at the irrigated fields in eastern and western Nebraska, United States. The experiments using synthetic ET observations indicated that, for two major sources of uncertainties of ET difference between observations and model simulations, which are bias and noise, noise had larger impacts on degrading the estimation performance of irrigation water use than bias. For the experiments using real ET observations, monthly and annual estimations of irrigation water use matched well with farmer irrigation records, with Pearson correlation coefficient ( r ) around 0.80 and 0.50, respectively. Although detecting daily irrigation records was very challenging, our method still gave a good performance with RMSE, BIAS, and r around 2.90, 0.03, and 0.4 mm/d, respectively. Our proposed model‐data fusion framework for estimating irrigation water use at high spatio‐temporal resolution could contribute to regional water management, sustainable irrigation, and better tracking terrestrial water cycle.

Environmental Sciences & Ecology↗
NASA NTRS2019

Discovery of Highly Blueshifted Broad Balmer and Metastable Helium Absorption Lines in a Tidal Disruption Event

We report the discovery of nonstellar hydrogen Balmer and metastable helium absorption lines accompanying a transient, high-velocity (0.05c) broad absorption line (BAL) system in the optical spectra of the tidal disruption event (TDE) AT2018zr (z = 0.071). In the Hubble Space Telescope UV spectra, absorption of high- and low-ionization lines is also present at this velocity, making AT2018zr resemble a low-ionization BALQSO. We conclude that these transient absorption features are more likely to arise in fast outflows produced by the TDE than absorbed by the unbound debris. In accordance with the outflow picture, we are able to reproduce the flat-topped Hα emission in a spherically expanding medium without invoking the typical prescription of an elliptical disk. We also report the appearance of narrow (~1000 kms(exp −1)) N III λ4640, He II λ4686, Hα, and Hβ emission in the late-time optical spectra of AT2018zr, which may be a result of UV continuum hardening at late times, as observed by Swift. Including AT2018zr, we find a high association rate (three out of four) of BALs in the UV spectra of TDEs. This suggests that outflows may be ubiquitous among TDEs and less sensitive to viewing angle effects compared to QSO outflows.

Hung, T.↗