mlsa-iai-msu-lab/ru_sci_bench_zho_cite_reranking huggingface dataset:
Sulfidation and selenidation of nickel nanoparticles

Transition metal chalcogenide nanoparticles (NPs) are of interest for energy applications, including batteries, supercapacitors, and electrocatalysis. Many methods have been established for synthesizing Ni NPs, and conversion chemistry to form Ni oxide and phosphides from template Ni NPs is well-understood. Sulfidation and selenidation of Ni NPs have been much less explored, however. We report a method for the conversion of Ni template NPs into sulfide and selenide product NPs using elemental sulfur, 1-hexadecanthiol, thiourea, trioctylphosphine sulfide, elemental selenium, and selenourea. While maintaining mole ratios of 2 mmol sulfur/selenium precursor: mmol Ni, products with phases of Ni_3S_2, Ni_9S_8, NiS, NiSO_4·6H_2O, Ni_3S_4, Ni_3Se_2, and NiSe have been obtained. The products have voids that form through the Kirkendall effect during interdiffusion. Trends relating the chemical properties of the precursors to the phases of the products have been identified. While some precursors contained phosphorus, there was no significant incorporation of phosphorus in any of the products. An increase of the NP size during sulfidation and selenidation is consistent with ripening. The application of Ni sulfide and selenide NPs as electrocatalysts for the hydrogen evolution reaction is also demonstrated.
Thick free-standing electrode based on carbon-carbon nitride microspheres with large mesopores for high-energy-density lithium-sulfur batteries

The development of sulfur cathodes with high areal capacity and high energy density is crucial for the practical application of lithium-sulfur batteries(LSBs). LSBs can be built by employing(ultra)high-loading sulfur cathodes, which have rarely been realized due to massive passivation and shuttling. Herein, microspheres of a carbon-carbon nitride composite(C@CN)with large mesopores are fabricated via molecular cooperative assembly. Using the C@CN-based electrodes, the effects of the large mesopores and N-functional groups on the electrochemical behavior of sulfur in LSB cells are thoroughly investigated under ultrahigh sulfur-loading conditions(>15 mgS cm~(-2)). Furthermore, for high-energy-density LSBs, the C@CN powders are pelletized into a thick free-standing electrode(thickness: 500 μm;diameter: 11 mm)via a simple briquette process;here, the total amount of energy stored by the LSB cells is 39 mWh, corresponding to a volumetric energy density of 440 Wh L~(-1)with an areal capacity of 24.9 and 17.5 mAh cm~(-2)at 0.47 and 4.7 mA cm~(-2), respectively(at 24 mgS cm~(-2)). These results have significantly surpassed most recent records due to the synergy among the large mesopores,(poly)sulfidephilic surfaces, and thick electrodes. The developed strategy with its potential for scale-up successfully fills the gap between laboratory-scale cells and practical cells without sacrificing the high areal capacity and high energy density, providing a solid foundation for the development of practical LSBs.
腹水超滤技术在重度卵巢过度刺激综合征中的应用

目的:探讨腹水超滤技术对重度卵巢过度刺激综合征(OHSS)患者腹水中不同物质的超滤(UF)效果。方法:抽取重度OHSS患者腹水共25份,采用全自动多功能血液和体液处理仪及FX80滤器,测定UF前后腹水中白蛋白(ALB)、球蛋白(Glo)、肌酐(Cr)、电解质、多种激素及炎性因子的浓度,并计算该装置对各物质的清除率(CR)和筛系数(SC)。结果:①UF后腹水中ALB、Glo、白细胞介素-6(IL-6)及血管内皮生长因子(VEGF)的浓度较UF前显著升高(P<0.05);UF后腹水中Cr、β-人绒毛膜促性腺激素(β-hCG)、雌二醇(E2)、IL-1β、IL-2、IL-8、IL-10及肿瘤坏死因子-α (TNF-α)的浓度较UF前显著降低(P<0.05);超滤前后电解质Na~+、K~+、Cl~-及HCO_3~-的浓度差异无统计学意义(P>0.05);②ALB、Glo、IL-6及VEGF的CR和SC均低于过滤的其他物质。结论:腹水超滤技术对重度OHSS患者腹水行UF能够有效清除Cr、多种激素及炎性因子,对IL-6和VEGF的清除能力欠佳;能维持电解质处于生理浓度范围内,该技术可考虑用于重度OHSS患者的自体腹水回输治疗。
胃癌中主要SWI/SNF复合物亚基突变/缺失与临床预后及肿瘤免疫反应的关系

目的探讨胃癌中主要SWI/SNF复合物亚基突变/缺失在预后及肿瘤免疫反应中的意义。方法利用cBioPortal、LinkedOmics及TISIDB数据集统计分析胃癌中主要SWI/SNF亚基突变/缺失情况,及其与临床预后、微卫星稳定性、肿瘤突变负荷、免疫抑制分子表达及肿瘤浸润淋巴细胞的关系。结果胃癌中SWI/SNF亚基发生突变/缺失占比前6位的亚基为ARID1A、ARID1B、ARID2、PBRM1、SMARCA2及SMARCA4,合计占42.3%,且常多个同时存在,占44.4%。多个SWI/SNF亚基同时突变患者的预后较好(P <0.001)。主要SWI/SNF亚基突变/缺失与微卫星不稳定性、肿瘤突变率、多种肿瘤浸润淋巴细胞及免疫抑制分子CD274/CTLA4 mRNA表达呈显著相关性。回归分析结果显示SWI/SNF亚基突变/缺失是作用于肿瘤突变率的独立性因素。结论胃癌中主要SWI/SNF复合物亚基突变/缺失可能参与胃癌的发生、发展,并作用于肿瘤免疫反应,可作为预测胃癌免疫疗法是否有效的标记。
The design and performance of charged particle detector onboard the GECAM mission

Background The Gravitational wave highly energetic Electromagnetic Counterpart All-skyMonitor (GECAM) is dedicated to detecting gravitational wave gamma-ray bursts. It is capable of all-sky monitoring over and discovering gamma-ray bursts and new radiation phenomena. GECAM consists of two microsatellites, each equipped with 8 charged particle detectors (CPDs) and 25 gamma-ray detectors (GRDs). Purpose The CPD is used to measure charged particles in the space environment, monitor energy and flow intensity changes, and identify between gamma-ray bursts and space charged particle events in conjunction with GRD. Methods CPD uses plastic scintillator as the sensitive material for detection, silicon photomultiplier array as the optically readable device, and the inlaid Am-241 radioactive source as the onboard calibration means. Conclusion In this paper, we will present the working principle, physical design, functional implementation and preliminary performance test results of the CPD. As a result, the energy range of electron, gamma-ray detection efficiency and dead time are tested to be better than the indexes required through the ground calibration experiment.
Potential suitable sites for the calibration of Scientific Echo Sounder in the marginal seas around Antarctica

The in situ calibration of Scientific Echo Sounders (SESs) in the Southern Ocean is crucial for accurate assessments of Antarctic krill and fishery biomasses. Because of the occurrence of strong winds, waves, and sea ice coverage in most seasons, SES calibration is usually difficult to perform in the Southern Ocean. Accordingly, it is essential to identify potential sites suitable for SES calibration in the marginal seas around Antarctica to successfully calibrate SESs in the Southern Ocean. Using synthetic analyses of the wind, surface current, and sea ice concentration in the targeted seas, we found that the polynya in the southeast Prydz Bay, close to the Chinese Zhongshan Station, is an ideal location to calibrate SESs based on its weak wind and surface current and its ice-free coverage during Antarctic cruises. Calibrations of the SESs onboard the research vessels of Xuelong and Xuelong 2 during the 36th and 37th Chinese National Antarctic Research Expeditions indicate that this location is a potential suitable site for conducting SES calibration with the vessel in a drifting mode.
Near-surface wind speed changes in eastern China during 1970-2019 winter and its possible causes

The changes in near-surface wind speed (NWS) have a crucial influence on the wind power industry, and previous studies have indicated that NWS on global and China has declined continuously for decades under global warming. However, recently, the decreasing trend of global NWS has slowed down and even showed a recovery trend. Using the observation data of 831 weather stations of the China Meteorological Administration and the Japanese 55-year reanalysis data from 1970 to 2019, NWS changes in eastern China were analyzed and the possible influencing factors were discussed. Results show that winter NWS presented a decreasing trend from -0.29 m s~(-1) per decade ( p < 0.001) in 1970-1989 to -0.05 m s~(-1) per decade ( p < 0.01) in 1990-2019. Moreover, NWS exhibited a significant upward trend of 0.18 m s-1 per decade ( p < 0.1) in 2011-2019, resulting in a 19.6% per decade recovery of the wind power generation. A possible cause is asymmetric changes of the sea level pressure and near-surface air temperature differences between the mid-high latitudes (40°-60°N, 80°-120°E) and low latitudes (20°-40°N, 110°-140°E) altered the horizontal air pressure gradient. Furthermore, NWS changes were closely associated with the large-scale ocean-atmosphere circulations (LOACs). NWS at 77.4% of the stations in eastern China shows significant correlation ( p < 0.05) with the East Asian winter monsoon index, besides, the inter/multidecadal variability of NWS was considerably correlated to four LOACs, including Arctic oscillation (AO), North Atlantic oscillation (NAO), Pacific decadal oscillation (PDO), and El NinoeSouthern Oscillation (ENSO). The timeseries reconstructed by a multiple linear regression model based on above five LOACs matches well with the NWS. Interannual variability of NWS were significantly correlated to AO (-0.45, p < 0.01) and NAO (-0.28, p < 0.05), while the correlation between NWS and ENSO was weak.
Impact of cropland degradation in the ruraleurban fringe on urban heat island and heat stress during summer heat waves in the Yangtze River Delta

China has experienced rapid urbanization since the 1980s, which has significantly reduced croplands around cities. Apart from transition to urban land, croplands have also experienced degradation into cropland/natural vegetation mosaic in the ruraleurban fringe. However, scant attention has been paid to the climatic effect of such land cover change so far. This study thus investigated the potential impacts of the conversion from irrigated cropland into the mosaic on regional hot extremes and heat stress by taking the Yangtze River Delta (YRD) as an example. Four heatwave events in the summer of 2013 and 2017 were simulated using the Weather Research and Forecasting Model (WRF). Three group experiments with various representative land cover scenarios, i.e., a default setting experiment with outdated land cover (Exp USGS), a control experiment with updated land cover (CTL), and a sensitivity experiment with modified mosaic land cover (Exp MOS), were performed for comparative analyses. Results show that CTL using the updated land cover data from China (ChinaLC) reproduced the spatial variation of observed 2-m air temperature and relative humidity better than Exp USGS. After the irrigated cropland was converted into the mosaic, the 2-m temperatures in most areas of the YRD became significantly higher than those in Exp MOS due to the lower albedo and leaf area index (LAI) in the newly emerged mosaic areas. The land cover change produced a negative contribution to the urban heat island (UHI) intensity, while it had a positive effect on extreme high temperature under heat wave conditions. This suggests a more cautious usage of the traditional definition of the UHI index is required when investigating the heat island effect, because the rural warming around an urban area may expand the heat island and enhance its heat effect. During the heatwave periods, the high temperature areas in CTL were larger than those in MOS, and the hot day areas increased by an average of 25.9%. Increase in air temperature further enhanced regional heat stress. Those results imply that the effects of land cover change in the ruraleurban fringe may increase the risks of extreme hot events and heat stress for urban residents under global warming.
Heterogeneous impacts of GVCs participation on CO_2 intensity: Evidence from developed and developing countries/regions

The deepening of global value chains (GVCs) has made remarkable impacts on the environmental outcomes of all countries/regions. What are the differences in environmental burden undertaken by countries/regions at different stages of economic development are a question worthy inquiry. This study compares the impacts of GVCs participation degree on CO_2 intensity between developed and developing countries/regions. Using panel data of 19 manufacturing industries in 43 countries/regions over the period of 2000-2014, it is discovered that the deeper participation in GVCs of developed countries/regions significantly reduces their CO_2 intensity, while the more participation in GVCs of developing countries/regions significantly increases their CO_2 intensity. Additionally, the quantile regression results reveal that the reduction of CO_2 intensity is increasing for industries with higher initial CO_2 intensity for developed countries/regions, whereas for developing countries/ regions, only industries with initial low CO_2 intensity experience significant increases in CO_2 intensity. We further analyzed the effect of GVCs participation degree on CO_2 intensity for high-tech and low-tech industries and discovered that the effect is only significant in low-tech industries. These findings provide empirical evidence for the pollution haven hypothesis and offer enlightenment to formulate future trade and environmental policies.
Insights into the adsorption of water and oxygen on the cubic CsPbBr_3 surfaces: A first-principles study

The degradation mechanism of the all-inorganic perovskite solar cells in the ambient environment remains unclear. In this paper, water and oxygen molecule adsorptions on the all-inorganic perovskite (CsPbBr_3) surface are studied by density-functional theory calculations. In terms of the adsorption energy, the water molecules are more susceptible than the oxygen molecules to be adsorbed on the CsPbBr_3 surface. The water molecules can be adsorbed on both the CsBr- and PbBr-terminated surfaces, but the oxygen molecules tend to be selectively adsorbed on the CsBr-terminated surface instead of the PbBr-terminated one due to the significant adsorption energy difference. While the adsorbed water molecules only contribute deep states, the oxygen molecules introduce interfacial states inside the bandgap of the perovskite, which would significantly impact the chemical and transport properties of the perovskite. Therefore, special attention should be paid to reduce the oxygen concentration in the environment during the device fabrication process so as to improve the stability and performance of the CsPbBr_3-based devices.
TiS_2-graphene heterostructures enabling polysulfide anchoring and fast electrocatalyst for lithium-sulfur batteries: A first-principles calculation

Lithium-sulfur batteries have attracted attention because of their high energy density. However, the "shuttle effect”caused by the dissolving of polysulfide in the electrolyte has greatly hindered the widespread commercial use of lithium-sulfur batteries. In this paper, a novel two-dimensional TiS_2/graphene heterostructure is theoretically designed as the anchoring material for lithium-sulfur batteries to suppress the shuttle effect. This heterostructure formed by the stacking of graphene and TiS_2 monolayer is the van der Waals type, which retains the intrinsic metallic electronic structure of graphene and TiS_2 monolayer. Graphene improves the electronic conductivity of the sulfur cathode, and the transferred electrons from graphene enhance the polarity of the TiS_2 monolayer. Simulations of the polysulfide adsorption show that the TiS_2/graphene heterostructure can maintain good metallic properties and the appropriate adsorption energies of 0.98-3.72 eV,which can effectively anchor polysulfides. Charge transfer analysis suggests that further enhancement of polarity is beneficial to reduce the high proportion of van der Waals (vdW) force in the adsorption energy,thereby further enhancing the anchoring ability. Low Li_2S decomposition barrier and Li-ion migration barrier imply that the heterostructure has the ability to catalyze fast electrochemical kinetic processes. Therefore, TiS_2/graphene heterostructure could be an important candidate for ideal anchoring materials of lithium-sulfur batteries.
Post-solitons and electron vortices generated by femtosecond intense laser interacting with uniform near-critical-density plasmas

Generation of nonlinear structures, such as stimulated Raman side scattering waves, post-solitons and electron vortices, during ultra-short intense laser pulse transportation in near-critical-density (NCD) plasmas is studied by using multidimensional particle-in-cell (PIC) simulations. In two-dimensional geometries, both P- and S-polarized laser pulses are used to drive these nonlinear structures and to check the polarization effects on them. In the S-polarized case, the scattered waves can be captured by surrounding plasmas leading to the generation of post-solitons, while the main pulse excites convective electric currents leading to the formation of electron vortices through Kelvin-Helmholtz instability (KHI). In the P-polarized case, the scattered waves dissipate their energy by heating surrounding plasmas. Electron vortices are excited due to the hosing instability of the drive laser. These polarization dependent physical processes are reproduced in two different planes perpendicular to the laser propagation direction in three-dimensional simulation with linearly polarized laser driver. The current work provides inspiration for future experiments of laser-NCD plasma interactions.
Formation of L1_0-FeNi hard magnetic material from FeNi-based amorphous alloys

L1o-FeNi hard magnetic alloy with coercivity reaching 861 Oe was synthesized through annealing Fe_(42)Ni_(41.3)Si_8B_4P_4Cu_(0.7) amorphous alloy, and the L1_0-FeNi formation mechanism has been studied. It is found the L1_0-FeNi in annealed samples at 400 °C mainly originated from the residual amorphous phase during the second stage of crystallization which could take place over 60 °C lower than the measured onset temperature of the second stage with a 5 °C/min heating rate. Annealing at 400 °C after fully crystallization still caused a slight increase of coercivity, which was probably contributed by the limited transformation from other high temperature crystalline phases towards L1_0 phase, or the removal of B from L1_0 lattice and improvement of the ordering quality of L1_0 phase due to the reduced temperature from 520 °C to 400 °C. The first stage of crystallization has hardly direct contribution to L1_0-FeNi formation. Ab initio simulations show that the addition of Si or Co in L1_0-FeNi has the effect of enhancing the thermal stability of Llo phase without seriously deteriorating its magnetic hardness. The non-monotonic feature of direction dependent coercivity in ribbon segments resulted from the combination of domain wall pinning and demagnetization effects. The approaches of synthesizing L1_0-FeNi magnets by adding Si or Co and decreasing the onset crystallization temperature have been discussed in detail.
Quantum walk search algorithm for multi-objective searching with iteration auto-controlling on hypercube

Shenvi et al. have proposed a quantum algorithm based on quantum walking called Shenvi-Kempe-Whaley (SKW) algorithm, but this search algorithm can only search one target state and use a specific search target state vector. Therefore, when there are more than two target nodes in the search space, the algorithm has certain limitations. Even though a multiobjective SKW search algorithm was proposed later, when the number of target nodes is more than two, the SKW search algorithm cannot be mapped to the same quotient graph. In addition, the calculation of the optimal target state depends on the number of target states m. In previous studies, quantum computing and testing algorithms were used to solve this problem. But these solutions require more Oracle calls and cannot get a high accuracy rate. Therefore, to solve the above problems, we improve the multi-target quantum walk search algorithm, and construct a controllable quantum walk search algorithm under the condition of unknown number of target states. By dividing the Hilbert space into multiple subspaces, the accuracy of the search algorithm is improved from pc = (1/2) - O( 1 /n) to pc = 1-O(1 /n). And by adding detection gate phase, the algorithm can stop when the amplitude of the target state becomes the maximum for the first time, and the algorithm can always maintain the optimal number of iterations, so as to reduce the number of unnecessary iterations in the algorithm process and make the number of iterations reach tf =(π/2)√2~(n-2).
Dual-site Doping to Enhance Oxygen Redox and Structural Stability of Li-rich Layered Oxides

Cobalt-free Li-rich layered oxides (LLOs) such as Li_(1.2)Mn_(0.6)Ni_(0.2)O_2 have attracted extensive attention owing to their high specific capacity and low cost. Nonetheless, numerous problems such as continuous voltage fading and capacity decay have become stumbling blocks in its commercial application. In this study, we propose an effective dual-site doping strategy by choosing Mo as the cation and F as the anion to enhance the capacity and cycling performance. The research demonstrates that the cycling stability of LLOs enhances with the doping ratio of Mo, and their capacity increases with the doping ratio of F. It is because Mo as a pillar enhances the structural stability and F doping is conducive to the activation of Li_2MnO_3. What’s more, dual-site doping also promotes the diffusion of Li~+ and reduces the internal resistance of the electrode. Due to these improvements, the 5F3M sample still maintains a discharge capacity of 190.98 mAh g~(-1) after 100 cycles at 200 mA g~(-1), which is much higher than 165.29 mAh g~(-1) of the Pristine sample. This discovery provides a new way to develop advanced layered oxide cathodes for both Na- and Li-ion batteries.
One-dimensional Rhodium-nickel Alloy Assemblies with Nanodendrite Subunits for Alkaline Methanol Oxidation

The noble metal rhodium (Rh) nanostructures have wide applications in catalysis and electrocatalysis. In this work, a series of RhNi alloy nanostructures with different Rh/Ni atomic ratios can be synthesized by one-step wet chemical method. By adjusting Rh(III)/Ni~(II) feed ratio, high-quality one-dimensional Rh_1Ni_1 alloy nanodendrite assemblies (Rh_1Ni_1-NDs-As) can be synthesized selectively. Electrochemical measurements show that the introduction of Ni can enhance the electroactivity of Rh nanomaterials for methanol oxidation reaction (MOR) in alkaline media. For potential practical application, Rh_1Ni_1-NDs-As reveals improved electroactivity and durability for MOR compared to commercial Rh nanoparticle due to the particular morphology, Ni-doping, high electrochemical active area, and excellent anti-poison ability. Considering the facial synthesis and high electroactivity/durability, Rh_1Ni_1-NDs-As may be promising anode catalysts in direct methanol fuel cells.
Nonequilibrium effects of reactive fiow based on gas kinetic theory

How to accurately probe chemically reactive fiows with essential thermodynamic nonequilibrium effects is an open issue. Via the Chapman–Enskog analysis, the local nonequilibrium particle velocity distribution function is derived from the gas kinetic theory. It is demonstrated theoretically and numerically that the distribution function depends on the physical quantities and derivatives, and is independent of the chemical reactions directly as the chemical time scale is longer than the molecular relaxation time. Based on the simulation results of the discrete Boltzmann model, the departure between equilibrium and nonequilibrium distribution functions is obtained and analyzed around the detonation wave. In addition, it has been verified for the first time that the kinetic moments calculated by summations of the discrete distribution functions are close to those calculated by integrals of their original forms.
Radiative capture of proton by ~9Be(p, γ)~(10)B at low energy

Radiative capture p + ~9Be→~(10)B + γ at energies bearing astrophysical importance is a key process for the spectroscopic study of ~(10)B. In this work, we consider the radiative capture crosssection for the ~9Be(p, γ)~(10)B within the framework of the potential model and the R-matrix method for the multi-entrance channel cases. In certain cases, when the potential fails, therefore, the R-matrix approach is better to use for the description of partial components of the crosssection that have sharp or broad resonances. For all possible electric and magnetic dipole transitions, partial components of the astrophysical S-factor are computed. The computed value of the total S-factor at zero energy is consistent with the reported results.