mlsa-iai-msu-lab/ru_sci_bench_zho_cite_reranking huggingface dataset:
Selective hydrocracking of light cycle oil into high-octane gasoline over bi-functional catalysts

Light cycle oil(LCO)with high content of poly-aromatics was difficult to upgrade and convert, which had hindered upgrading fuel quality to meet with the standard of automotive diesel for the purpose of sustainable development. The hydrocracking behaviors of typical aromatics in LCO of naphthalene and tetralin were investigated over NiMo and CoMo catalysts. Several characterization methods including N2-adsoprtion and desorption, ammonia temperature-programmed desorption(NH_3-TPD), Pyridine infrared spectroscopy(Py-IR), CO infrared spectroscopy(CO-IR), Raman and X-ray photoelectron spectroscopy(XPS)were applied to determine the properties of different catalysts. The results showed that CoMo catalyst with high concentration of S-edges could hydrosaturate more naphthalene to tetralin but exhibit lower yield of high-value light aromatics(carbon numbers less than 10)than NiMo catalyst. NiMo catalyst with high concentration of Mo-edges also presented a higher selectivity of converting naphthalene into cyclanes than CoMo catalyst. Subsequently, the naphthalene and LCO hydrocracking performances were also investigated over different catalysts systems. The activity evaluation and kinetic analysis results showed that the naphthalene hydrocracking conversion and the yield of light aromatics for CoMo-AY/NiMo-AY grading catalysts were higher than NiMo-AY/CoMo-AY grading catalysts at same condition. A stepwise reaction principle was proposed to explain the high efficiency of CoMo-AY/NiMo-AY grading catalysts. Finally, the LCO hydrocracking evaluation results confirmed that CoMo-AY/NiMo-AY catalysts grading system with low carbon deposition and high stability could remain high percentage of active phases, which was more efficient to convert LCO to high-octane gasoline.
Scalable and fast fabrication of graphene integrated microsupercapacitors with remarkable volumetric capacitance and flexibility through continuous centrifugal coating

Microscale electrochemical energy storage devices, e.g., micro-supercapacitors(MSCs), possessing tailored performance and diversified form factors of lightweight, miniaturization, flexibility and exceptional integration are highly necessary for the smart power sources-unitized electronics. Despite the great progress,the fabrication of MSCs combining high integration with high volumetric performance remains largely unsolved. Herein, we develop a simple, fast and scalable strategy to fabricate graphene based highly integrated MSCs by a new effective continuous centrifugal coating technique. Notably, the resulting highly conductive graphene films can act as not only patterned microelectrodes but also metal-free current collectors and interconnects, endowing modular MSCs with high integrity, remarkable flexibility, tailored voltage and capacitance output, and outstanding performance uniformity. More importantly, the strong centrifugal force and shear force generated in continuous centrifugal coating process lead to graphene films with high alignment, compactness and packing density, contributing to excellent volumetric capacitance of ~31.8 F cm~(-3) and volumetric energy density of ~2.8 mWh cm~(-3), exceeding most reported integrated MSCs. Therefore, our work paves a novel way for simple and scalable fabrication of integrated MSCs and offers promising opportunities as standalone microscale power sources for new-generation electronics.
Designer uniform Li plating/stripping through lithium-cobalt alloying hierarchical scaffolds for scalable high-performance lithium-metal anodes

Lithium metal anodes are of great interest for advanced high-energy density batteries such as lithiumair,lithium-sulfur and solid-state batteries, due to their low electrode potential and ultra-high theoretical capacity. There are, however, several challenges limiting their practical applications, which include low coulombic efficiency, the uncontrollable growth of dendrites and poor rate capability. Here, a rational design of 3D structured lithium metal anodes comprising of in-situ growth of cobalt-decorated nitrogen-doped carbon nanotubes on continuous carbon nanofibers is demonstrated via electrospinning. The porous and free-standing scaffold can enhance the tolerance to stresses resulting from the intrinsic volume change during Li plating/stripping, delivering a significant boost in both charge/discharge rates and stable cycling performance. A binary Co-Li alloying phase was generated at the initial discharge process,creating more active sites for the Li nucleation and uniform deposition. Characterization and density functional theory calculations show that the conductive and uniformly distributed cobalt-decorated carbon nanotubes with hierarchical structure can effectively reduce the local current density and more easily absorb Li atoms, leading to more uniform Li nucleation during plating. The current work presents an advance on scalable and cost-effective strategies for novel electrode materials with 3D hierarchical microstructures and mechanical flexibility for lithium metal anodes.
Small bandgap non-fullerene acceptor enables efficient PTB7-Th solar cell with near 0 eV HOMO offset

Three small bandgap non-fullerene(SBG NFAs)acceptors, BDTI, BDTI-2F and BDTI-4F, based on a carbon-oxygen bridged central core and thieno[3,4-b]thiophene linker, end-capped with varied electronwithdrawing terminal groups, were designed and synthesized. The acceptors exhibit strong absorption from 600 nm to 1000 nm. The optimal device incorporating designed NFA and PTB7-Th polymer donor achieves a power conversion efficiency of 9.11% with near 0 eV HOMO offset. The work presents a case study of efficient non-fullerene solar cells with small HOMO offsets, which is achieved by blending PTB7-Th with fine-tuned SBG acceptor.
A gelatin-based artificial SEI for lithium deposition regulation and polysulfide shuttle suppression in lithium-sulfur batteries

Lithium-sulfur(Li-S)battery is one of the best candidates for the next-generation energy storage system due to its high theoretical capacity(1675 mA h~(-1)), low cost and environment friendliness. However,lithium(Li)dendrites formation and polysulfide shuttle effect are two major challenges that limit the commercialization of Li-S batteries. Here we design a facile bifunctional interlayer of gelatin-based fibers(GFs), aiming to protect the Li anode surface from the dendrites growth and also hinder the polysulfide shuttle effect. We reveal that the 3D structural network of GFs layer with abundant polar sites helps to homogenize Li-ion flux, leading to uniform Li-ion deposition. Meanwhile, the polar moieties also immobilize the lithium polysulfides and protect the Li metal from the side-reaction. As a result, the anodeprotected batteries have shown significantly enhanced performance. A high coulombic efficiency of 96% after 160 cycles has been achieved in the Li-Cu half cells. The Li-Li symmetric cells exhibit a prolonged lifespan for 800 h with voltage hysteresis(10 mV). With the as-prepared GFs layer, the Li-S battery shows approximately 14% higher capacity retention than the pristine battery at 0.5 C after 100 cycles. Our work presents that this gelatin-based bi-functional interlayer provides a viable strategy for the manufacturing of advanced Li-S batteries.
Two-dimensional multimetallic sulfide nanosheets with multi-active sites to enhance polysulfide redox reactions in liquid Li_2S_6-based lithium-polysulfide batteries

The lithium-sulfur battery has attracted enormous attention as being one of the most significant energy storage technologies due to its high energy density and cost-effectiveness. However, the "shuttle effect" of polysulfide intermediates represents a formidable challenge towards its wide applications. Herein, we have designed and synthesized two-dimensional Cu, Zn and Sn-based multimetallic sulfide nanosheets to construct multi-active sites for the immobilization and entrapment of polysulfides with offering better performance in liquid Li_2S_6-based lithium-polysulfide batteries. Both experimental measurements and theoretical computations demonstrate that the interfacial multi-active sites of multimetallic sulfides not only accelerate the multi-chained redox reactions of highly diffusible polysulfides, but also strengthen affinities toward polysulfides. By adopting multimetallic sulfide nanosheets as the sulfur host,the liquid Li_2S_6-based cell exhibits an impressive rate capability with 1200 mAh/g and retains 580 mAh/g at 0.5 mA/cm~2 after 1000 cycles. With high sulfur mass loading conditions, the cell with 2.0 mg/cm~2 sulfur loading delivers a cell capacity of 1068 mAh/g and maintains 480 mAh/g with 0.8 mA/cm~2 and 500 cycles. This study provides new insights into the multifunctional material design with multi-active sites for elevated lithium-polysulfide batteries.
Supplementation with sodium butyrate improves growth and antioxidant function in dairy calves before weaning

Background:There is increasing research interest in using short-chain fatty acids(SCFAs)including butyrate as potential alternatives to antibiotic growth promoters in animal production. This study was conducted to evaluate the effects of supplementation of sodium butyrate(SB)in liquid feeds(milk, milk replacer, and the mixture of both)on the growth performance, rumen fermentation, and serum antioxidant capacity and immunoglobins in dairy calves before weaning. Forty healthy female Holstein calves(4-day-old, 40 ± 5 kg of body weight)were housed in individual hutches and randomly allocated to 1 of 4 treatment groups(n = 10 per group)using the RAND function in Excel. The control group was fed no SB(SB0), while the other three groups were supplemented with 15(SB15), 30(SB30), or 45(SB45)g/d of SB mixed into liquid feeds offered. The calves were initially fed milk only(days 2 to 20), then a mixture of milk and milk replacer(days 21 to 23), and finally milk replacer only(days 24 to 60). Results:The SB supplementation enhanced growth and improved feed conversion into body weight gain compared with the SB0 group, and the average daily gain increased quadratically with increasing SB supplementation. No significant effect on rumen pH;concentrations of NH_3-N, individual and total VFAs;or acetate:propionate(A:P)ratio was found during the whole experimental period. Serum glutathione peroxidase activity increased linearly with the increased SB supplementation, while the serum concentration of maleic dialdehyde linearly decreased. Serum concentrations of immunoglobulin A, immunoglobulin G, or immunoglobulin M were not affected by the SB supplementation during the whole experimental period. Conclusions:Under the conditions of this study, SB supplementation improved growth performance and antioxidant function in pre-weaned dairy calves. We recommended 45 g/d as the optimal level of SB supplementation mixed into liquid feeds(milk or milk replacer)to improve the growth and antioxidant function of dairy calves before weaning.
Surface morphology and electrochemical behaviour of Ti-48Al-2Cr-2Nb alloy in low-concentration salt solution

Electrochemical machining (ECM) is becoming increasingly important for the efficient machining of parts with a large machining area.This is an addition challenge for ECM because of the very high machining current.To overcome this difficulty,a direct and effective strategy is to adopt the machining mode that uses a low-concentration electrolyte with a low current density.The purpose of this study is to reveal the electrochemical behaviour and surface morphology in low-concentration electrolyte.The polarization behavior of Ti-48Al-2Cr-2Nb is measured by linear sweep voltammetry and cyclic voltammetry curves.The ηω-j curves demonstrate the special dissolution behaviour of Ti-48Al-2Cr-2Nb at low current densities.The surface morphology,surface quality,and dissolution mechanism are analysed in three low-concentration electrolytes at different current densities after the ECM dissolution experiments.The results demonstrate that Ti-48Al-2Cr-2Nb exhibits three unique dissolution morphologies in the three solutions,and we found that the γ-TiAl phase dissolves faster than the α2-Ti_3Al phase.These results also show that 1% NaCl solution is more suitable for Ti-48Al-2Cr-2Nb in ECM compared with the other two solutions,considering its good surface quality,low breakdown potential,and high material removal rate.Later,the dissolution process of the sample in 1% NaCl solution at different corrosion times is revealed.Moreover,a dissolution model is proposed for the electrochemical dissolution behaviour of Ti-48Al-2Cr-2Nb in 1% NaCl solution.
Thickness evolution of commercial Li-ion pouch cells with siliconbased composite anodes and NCA cathodes

It is significant to monitor the thickness change of commercial Li-ion pouch cells that are assembled from Si-based electrodes and layered cathodes since the volume variation is critically linked with kinetic reaction mechanism and chemomechanical degradation.In this work,the single-point and full-field measurements are conducted on the thickness evolution of SiO_x/Cgraphite/lithium nickel-cobalt-aluminum oxide (SiO_x-G/NCA) batteries.It is found that an abnormal overshoot that has been rarely observed in the previous studies appears at the beginning of discharge,which is believed to be the combined results between the rapid expansion of NCA and the contraction of graphite related to the state of charge (SOC).Compared with the results of single-point measurement,the spatial displacement distribution obtained from three-dimensional (3D) scanning suggests the full-field thickness evolution of the entire cell scale,which is more feasible and efficient to provide full-field information for supporting pouch cell design and pack integration.
Methodology for in situ wolframite U-Pb dating and its application

Tungsten (or wolfram, W), one of the crucial metal sources, is widely used in electronics, oil, chemical and military industries. China owns abundant tungsten resources (~60% of the world reserves and ~80% of the world’s production), of which the area from Southern Jiangxi-Northern Guangdong- Southern Hunan is the most significant ore belt in south China. Understanding ore genesis and distribution as well as the process of fine mineralization will further benefit the prospecting and exploration of tungsten deposits. The accurate determination of the age of mineralization is at the front line in the study of ore deposit and the premise for solving and understanding the above problems. Tungsten is associated with tin ore and granitic rocks, hence, zircon in granite and the gauge minerals (e.g., mica, feldspar) or the associated molybdenite are usually used to indirectly date and define the time of tungsten mineralization. However, the physical and chemical conditions of tungsten enrichment and ore-forming processes are significantly different from the rock-forming elements and Molybdenum (Mo) and other metals in silicate. Therefore, the obtained age data might not be able to effectively restrict the time of tungsten mineralization. Wolframite [(Fe, Mn)WO4] is the main ore mineral for tungsten, and also the main ore used to refine tungsten. If the age of ore mineral (wolframite) can be dated and measured in situ, we could get a more reliable age of tungsten mineralization.
Study on anisotropy of Longmaxi shale using hydraulic fracturing experiment

Hydraulic fracturing reservoir reconstruction technology is crucial in the development of shale gas exploitation techniques. Large quantities of high-pressure fluids injected into shale reservoirs significantly alter compressional (P) and shear (S) wave velocities, rock mechanical parameters, and anisotropic characteristics. In this study, differentiated hydraulic fracturing petrophysical experiments were carried out on Longmaxi Formation shale under pseudo-triaxial stress loading conditions. The effects of stress loading methods, and water-rock physical and chemical reactions on P- and S-wave velocities and rock mechanical parameters were compared. The experimental results showed that isotropic stress loading may increase the P- and Swave velocities and Young’s modulus of dry shale kldnsample. Furthermore, it may lead to a weakening of the corresponding anisotropy. In contrast, differential stress loading was able to improve the anisotropy of Young’s modulus and accelerate the decrease in the compressive strength of shale in the vertical bedding direction. The water-rock physical and chemical reactions prompted by hydraulic fracturing was found to “soften” shale samples and reduce Young’s modulus. The influence of this “soften” effect on the compressional and shear wave velocities of shale was negligible, whilst there was a significant decrease in the anisotropy characteristics of Thomsen parameters, Young’s modulus, and Poisson’s ratio. The negative linear relationship between the Poisson’s ratios of the shale samples was also observed to lose sensitivity to stress loading, as a result of the “soften” effect of fracturing fluid on shale. The results of this study provide a reliable reference point and data support for future research on the mechanical properties of Longmaxi shale rocks.
A new era of flood control strategies from the perspective of managing the 2020 Yangtze River flood

Flood control of the Yangtze River is an important part of China’s national water security. In July 2020, due to continuous heavy rainfall, the water levels along the middle-lower reaches of the Yangtze River and major lakes constantly exceeded the warning levels, in which Taihu Lake exceeded its highest safety water level and some stations of Poyang Lake reached their highest water levels in its history. In August 2020, another huge flood occurred in the Minjiang River and the Jialing River in the upper Yangtze River, and some areas of Chongqing Municipality and other cities along the rivers were inundated, resulting in great pressure on flood control and high disaster losses. The 2020 Yangtze River flood has received extensive media coverage and raised concerns on the roles of the Three Gorges Dam and other large reservoirs in flood control. Here we analyze the changes in the pattern of the Yangtze River flood control by comparing the strategies to tackle the three heavy floods occurring in 1954, 1998, and 2020. We propose that the overall strategy of the Yangtze River flood control in the new era should adhere to the principle of “Integration of storage and drainage over the entire Yangtze River Basin, with draining floods downstream as the first priority” by using both engineering and non-engineering measures. On the basis of embankments, the engineering measures should use the Three Gorges Dam and other large reservoirs as the major regulatory means, promote the construction of key flood detention areas, keep the floodways clear, and maintain the ecosystem services of wetlands and shoals. In terms of non-engineering measures, we should strengthen adaptive flood risk management under climate change, standardize the use of lands in flood detention areas, give space to floods, and promote the implementation of flood risk maps and flood insurance policies. The ultimate goal of this new flood control system is to enhance the adaptability to frequent floods and increase the resilience to extreme flood disasters.
Molecular ferroelectrics for efficient perovskite solar cells

During the past decade, the power conversion efficiencies (PCEs) of organic-inorganic hybrid perovskite solar cells (PSCs) have exceeded 25% [1], which is expected to be one of the candidates for the next generation of thin-film photovoltaic technology. Fundamentally speaking, the performance of PSCs mainly depends on the light absorption capacity, defect passivation and photo-induced exciton separation and extraction of perovskite films. Under the light illumination, photo-induced excitons were separated and extracted by the built-in electric field of PSCs. Unfortunately, relatively small built-in electric fields do not provide enough driving force to completely separate the excitons and allow the captured charge to escape from the deep-level defect states [2,3]. In this process, the non-radiative recombination of perovskites caused by internal and surface defects, especially deep-level defects, may become a serious recombination center, which is unfavorable to photogenerated electrons and holes, resulting in significant energy loss [4]. Therefore, the enhancement of the built-in electric field to promote the separation and transportation of electrons and holes, and the passivation of defects to reduce the non-radiation recombination has important significance for the efficient PSCs.
An A-D-A′-D-A type unfused nonfullerene acceptor for organic solar cells with approaching 14% efficiency

In recent years, power conversion efficiency (PCE) of organic solar cells (OSCs) has made significant improvement. A large number of studies were reported to achieve high PCEs through exploring new active layer materials, especially the high efficiency fused ring acceptors (FRAs). Compared with FRAs, another type of so-called unfused-ring acceptors (UFAs), possessing some advantages such as simple synthesis and low cost, have attracted a lot of attention. Herein, a new UFA BTzO- 4F, incorporating with a benzotriazole moiety and S···O intramolecular noncovalent interactions, has been successfully synthesized. The photovoltaic device based on PBDB-T:BTzO-4F achieved a record PCE of 13.8% for UFAs, which indicates that introducing the benzotriazole moiety is an effective strategy for high quality acceptors. Thus, these findings of this work demonstrate the great potential of UFAs for high performance OSCs.
Surface-anchoring zwitterionic antioxidant enables efficient, stable, and scalable all-perovskite tandem solar cells

Lead-halide perovskite photovoltaics (PVs) have achieved impressive progress in power conversion efficiencies (PCEs) over the past ten years, accelerating their step forward to next-generation commercial PV technologies [1]. As a leading candidate for perovskite PVs, monolithic all-perovskite tandem solar cells (PTSCs) have achieved the best 24.8% for small-area devices (0.049 cm~2) in 2019, and have the potential to deliver higher PCE in comparison to their single-junction counterparts that are already close to the PCE limit according to the Shockley-Queisser theory [2]. PTSCs generally consist of two stacked perovskite sub-cells: a back narrow-bandgap cell (~1.2 eV) combined with a front widebandgap cell (~1.8 eV). Fabricating high-quality mixed lead-tin (Pb-Sn) narrow-bandgap sub-cells remains the key challenge for efficient and stable PTSCs because of the poor electronic quality and instability of the mixed Pb-Sn perovskite polycrystalline film [3]. In general, even a trace amount of oxygen or effects of solvent could induce the Sn2+ oxidation that results in a high density of Sn vacancies and distorted lattices during film crystallization. Moreover, non-uniform nucleation and fast crystallization of the Sn-containing perovskites are likely to cause abundant interfacial defects and serious film heterogeneities, which retard the development of efficient, stable, and scalable PTSCs [4].