mlsa-iai-msu-lab/ru_sci_bench_zho_cite_reranking huggingface dataset:
In-situ construction of conducting alloy interphase towards modulating Li-ion storage kinetics

Interface engineering strategy shows great promise in promoting the reaction kinetic and cycling performance in the field of electrochemical energy storage application. In this work, an in-situ interface growth strategy is proposed to introduce a robust and conducting MoGe2 alloy interphase between the electrochemical active Ge nanoparticle and flexible MoS_2 nanosheets to modulate their Li-ion storage kinetics. The structural evolution processes of the Ge@MoGe2@MoS_2 composite are unraveled, during which the initially-generated Ge metals serve as a crucial reduction mediator in the formation of MoGe2 species bridging the Ge and MoS_2. The as-generated MoGe2 interface, chemically bonding with both Ge and MoS_2, possesses multi-fold merits, including the maintaining stable framework of electrochemically inactive Mo matrix to buffer the strain-stress effect and the ‘‘welding spot” effects to facilitate the efficient Li+/e- conduction. As well, the introduction of MoGe2 interface leads to a unique sequential lithiation/ de-lithiation process, namely in the order of the electrochemically active MoS_2-MoGe2-Ge during lithiation and vice versa, during which the electrode strain could be more effectively released. Benefited from the robust and rigid MoGe2 interface, the delicately designed Ge@MoGe2@MoS_2 composite exhibits an improved charge/discharge performances (866.7 mAh g~(-1) at 5.0 A g~(-1) and 838.5 mAh g~(-1) after 400 cycles) while showing a high tap density of 1.23 g cm~(-3). The as-proposed in-situ interface growth strategy paves a new avenue for designing novel high-performance electrochemical energy storage materials.
Insight into the reaction mechanism of sulfur chains adjustable polymer cathode for high-loading lithium-organosulfur batteries

Small molecules with adjustable sulfur atoms in the confined structure were acted as precursor for the synthesis of polymer cathodes for lithium-organosulfur batteries. Among them, poly(diallyl tetrasulfide) (PDATtS) delivered a high capacity of 700 mAh g~(-1), stable capacity retention of 85% after 300 cycles, high areal capacity ~ 4 mAh cm~(-2) for electrode with up to 10.3 mg cm~(-2) loading. New insight into the reaction mechanism of PDATtS electrode that radicals arisen from the homolytic cleavage of S-S bond in PDATtS reacted with Li~+ to generate thiolates (RSLi) and insoluble lithium sulfides (Li_2S) or lithium disulfide (Li_2S_2) was clearly verified by in-situ UV/Vis spectroscopy, nuclear magnetic resonance (NMR) studies and density-functional theory (DFT) calculations. Therefore, based on the unique reaction mechanism, problems of rapid capacity fading due to the formation of soluble polysulfide intermediates and their serious shuttle effect in conventional lithium-sulfur (Li-S) batteries was totally avoided, realizing the dendrite-free lithium sulfur batteries. This study sets new trends for avenues of further research to advance Li- S battery technologies.
Simultaneously enhanced moisture tolerance and defect passivation of perovskite solar cells with cross-linked grain encapsulation

The grain surfaces (film surface and grain boundary) of polycrystalline perovskite films are vulnerable sites in solar cells since they pose a high defect density and initiate the degradation of perovskite absorber. Achieving simultaneously defect passivation and grain protection from moisture is crucial for the viability of perovskite solar cells. Here, an in situ cross-linked grain encapsulation (CLGE) strategy that improves both device stability and defect passivation is reported. Cross-linkable semiconducting small molecules are mixed into the antisolvent to uniformly form a compact and conducting cross-linked layer over the grain surfaces. This cross-linked coating layer not only passivates trap states and facilitates hole extraction, but also enhances the device stability by preventing moisture diffusion. Using the CLGE strategy, a high power conversion efficiency (PCE) of 22.7% is obtained in 1.55-eV bandgap planar perovskite solar cells. The unencapsulated devices with CLGE exhibit significantly enhanced device stability again moisture and maintain >90% of their initial PCE after shelf storage under ambient condition for over 10,000 h.
A highly stable membrane with hierarchical structure for wide pH range flow batteries

A membrane with high stability and ion conductivity in wide pH range is essential for energy storage devices. Here, we report a novel membrane with hierarchical core-shell structure, which demonstrates high stability and ion conductivity, simultaneously under a wide pH range applications. Spectral characterizations and theoretical calculation indicate that the non-solvent induces the chain segment configuration and eventually leads to polymer-polymer phase separation, thus forming hierarchical porous core-shell structure. Benefiting from this structure, an acidic vanadium flow battery (VFB) with such a membrane shows excellent performance over 400 cycles with an energy efficiency (EE) of above 81% at current density of 120 mA cm~(-2) and an alkaline zinc-iron flow battery (AZIFB) delivers a cycling stability for more than 200 cycles at 160 mA cm~(-2), along with an EE of above 82%. This paper provides a cost-effective and simple way to fabricate membranes with high performance for variety of energyrelated devices.
MOF-derived Co-MOF,O-doped carbon as trifunctional electrocatalysts to enable highly efficient Zn-air batteries and water-splitting

Development of high-efficiency non-noble electrocatalysts for oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) is urgently needed for high-performance Zn-air batteries and overall water splitting. Here, a facile strategy to synthesize novel Co-MOF,O-doped carbon (Co-MOF-T) based on Zn, Co-doped glucosamine and ZIF-8 by pyrolysis at temperature T was demonstrated. The prepared Co-MOF-800 showed a superior oxygen reduction reaction (ORR) activity comparable to that of commercial Pt/C catalyst. In addition, this catalyst shows great potential in the overall water splitting due to the excellent oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) activities. Based on the trifunctional activity, the primary Zn-air batteries using a Co-MOF-800 air electrode achieved a high open-circuit voltage of 1.38 V, a specific capacity of 671.6 mAh gZn -1, and a prominent peak power density of 144 mW cm~(-2). Also, the rechargeable Zn-air batteries based on Co- MOF-800 air electrode could be smoothly run for 510 cycles with a low voltage gap of 0.58 V. Finally, the trifunctional Co-MOF-800 catalyst was applied to boost the electrochemical water splitting, demonstrating its promising potential as a green energy material for practical applications.
Plasma assisted synthesis of LiNi_(0.6)Co_(0.2)Mn_(0.2)O_2 cathode materials with good cyclic stability at subzero temperatures

Layered Ni-rich cathode materials, LiNi_(0.6)Co_(0.2)Mn_(0.2)O_2 (NCM622), are synthesized via solid reaction assisted with a plasma milling pretreatment, which is resulted in lowering sintering temperatures for solid precursors. The plasma milling pretreated NCM622 cathode material sintered at 780 ℃ (named as PM-780) demonstrates good cycling stability at both room and subzero temperatures. Specifically, the PM-780 cathode delivers an initial discharge capacity of 171.2 mAh g~(-1) and a high capacity retention of 99.7% after 300 cycles with current rate of 90 mA g~(-1) at 30 ℃, while stable capacities of 120.3 and 94.0 mAh g~(-1) can be remained at -10 ℃ and -20 ℃ in propylene carbonate contained electrolyte, respectively. In-situ XRD together with XPS and SEM reveal that the NCM622 cycled at -10 ℃ presented better structural stability and more intact interface than that of cathodes cycled at 30 ℃. It is also found that subzero temperatures only limit the discharge potential of NCM622 without destroying its structure during cycling since it still exhibits high discharge capacity at 30 ℃ after cycled at subzero temperatures. This work may expand the knowledge about the low-temperature characteristics of layered cathode materials for Li-ion batteries and lay the foundation for its further applications.
Suppressing by-product via stratified adsorption effect to assist highly reversible zinc anode in aqueous electrolyte

The development of promising zinc anodes mainly suffers from their low plating/stripping coulombic efficiencies when using aqueous electrolyte, which are mainly associated with the interfacial formation of irreversible by-products. It is urgent to develop technologies that can solve this issue fundamentally. Herein, we report an artificial Sc_2O_3 protective film to construct a new class of interface for Zn anode. The density functional theory simulation and experimental results have proven that the interfacial side reaction was inhibited via a stratified adsorption effect between this artificial layer and Zn anode. Benefiting from this novel structure, the Sc_2O_3-coated Zn anode can run for more than 100 cycles without short circuit and exhibit low voltage hysteresis, and the coulombic efficiency increases by 1.2%. Importantly, it shows a good application prospect when matched with two of popular manganese-based and vanadium-based cathodes. The excellent electrochemical performance of the Sc_2O_3-coated Zn anode highlights the importance of rational design of anode materials and demonstrates a good way for developing high-performance Zn anodes with long lifespan and high efficiency.
Recent advances of metal phosphides for Li-S chemistry

Li-S batteries have been considered as one of advanced next-generation energy storage systems owing to their remarkable theoretical capacity (1672 mAh g~(-1)) and high energy density (2600 Wh kg~(-1)). However, critical issues, mainly pertaining to lithium polysulfide shuttle and slow sulfur reaction kinetics, have posed a fatal threat to the electrochemical performances of Li-S batteries. The situation is even worse for high sulfur-loaded and flexible cathodes, which are the essential components for practical Li-S batteries. In response, the use of metal compounds as electrocatalysts in Li-S systems have been confirmed as an effective strategy to date. Particularly, recent years have witnessed many progresses in phosphidesoptimized Li-S chemistry. This has been motivated by the superior electron conductivity and high electrocatalytic activity of phosphides. In this tutorial review, we offer a systematic summary of active metal phosphides as promoters for Li-S chemistry, aiming at helping to understanding the working mechanism of phosphide electrocatalysts and guiding the construction of advanced Li-S batteries.
Synergistic effect from coaxially integrated CNTs@MoS_2/MoO_2 composite enables fast and stable lithium storage

Molybdenum oxide/sulfide materials are extensively evaluated as high-capacity anode candidates for lithium ion batteries. However, they suffer from rapid capacity decay and poor kinetics. Herein, we report on synergistic effect from structurally integrated coaxial CNTs@MoS_2/MoO_2 composite material on lithium storage, in which MoS_2/MoO_2 nanosheets are conformally decorated on carbon nanotubes (CNTs). In-situ synchrotron X-ray diffraction measurement is performed to elucidate synergistic effect among three MoS_2, MoO_2 and CNTs components for lithium storage. Reaction mechanism exploration reveals that the MoO_2 component undergoes reversible Li~+ intercalation via forming a stable Li_(0.98)MoO_2 phase over a voltage range of 3.0 to 0.01 V vs. Li~+/Li, without experiencing the conversion reaction into metallic Mo, which contributes to long-term stability during charge/discharge cycles. Meanwhile, lithium storage of MoS_2 is through lithium and sulfur reversible reaction after the initial conversion reaction of lithiated MoS_2 forming Li_2S and Mo. The CNTs component enhances electronic conductivity and structural stability by minimizing volume change and reaction strains in the CNTs@MoS_2/MoO_2 composite anode. A desired 68.2% capacity retention upon 2000 cycles at 10 A/g has been demonstrated for the CNTs@MoS_2/MoO_2 anode, revealing prominent reaction kinetics and structural stability for fast and stable lithium storage, superior to various Mo-based anode materials previously reported. The findings from this study, with the unique insight into the role of structural integrity in combining MoS_2/MoO_2 materials with the CNTs substrate, offers a strategy for designing composite anode materials for superior lithium storage performance.
Magnetron sputtering deposition of silicon nitride on polyimide separator for high-temperature lithium-ion batteries

To date, lithium-ion batteries are becoming increasingly significant in the application of portable devices and electrical vehicles, and revolutionary progress in theoretical research and industrial application has been achieved. However, the commercial polyolefin separators with unsatisfying electrolytes affinity and poor thermal stability have extremely restricted the further application of lithium-ion batteries, especially in the high-temperature fields. In this work, magnetron sputtering deposition technique is employed to modify the commercial polyimide separator by coating silicon nitride on both sides. Magnetron sputtering deposition modified polyimide (MSD-PI) composite separator shows high thermal stability and ionic conductivity. More importantly, compared with the cells using Celgard separator, the cells with MSD-PI separator exhibit superior electrochemical performance, especially long-term cycle performance under high temperature environment, owing to the high thermal conductivity of surface Si_3N_4 particles. Hence, lithium-ion batteries with MSD-PI separator are capable of improving thermal safety and capacity retention, which demonstrates that magnetron sputtering deposition technique could be regarded as a promising strategy to develop advanced organic/inorganic composite separators for high-temperature lithium-ion batteries.
Core-shell structured SnSe@C microrod for Na-ion battery anode

The SnSe nanoparticles encapsulated in the carbon nanofibers (SnSe@C) with microrod morphology and core-shell structure are prepared by electrospinning and annealing process, and investigated as anode materials for sodium ion batteries. Benefiting from this unique structure, the SnSe@C can deliver a reversible capacity of 283.8 mAh g~(-1) after 500 cycles at a high current density of 1.0 A g~(-1). The sodium ion storage mechanisms of SnSe are further characterized by ex-situ X-ray diffraction, high-resolution transmission electron microscope and selected area electron diffraction measurements. Besides, the excellent electrochemical performance of the electrodes is investigated by pseudocapacitance and in situ electrochemical impedance spectroscopy measurements. This work may provide a new avenue for synthesis of metal selenides with core-shell structure and a good idea for studying the kinetics process.
In-situ construction of a Mg-modified interface to guide uniform lithium deposition for stable all-solid-state batteries

Uniform lithium (Li) deposition in all-solid-state Li metal batteries is greatly influenced by the anode/ electrolyte interface. Herein, a Mg-modified interface was constructed via the simple in-situ electrochemical reduction of Mg~(2+) from Mg(TFSI)2 in polyethylene oxide (PEO) and a Li bis(trifluoromethane)sulfoni mide (LiTFSI) formulae. As confirmed by cryogenic transmission electron microscopy, the anode/ electrolyte interface exhibited hybrids consisting of crystalline Mg, Li2O, and Li dots embedded in an amorphous polymer electrolyte. The crystalline Mg dots guided the uniform Li nucleation and growth, inducing a smoother anode/electrolyte interface compared with the pristine electrolyte. With 1 wt % Mg(TFSI)2 in the PEO-LiTFSI electrolyte, the Mg-modified electrolyte enabled the Li/Li symmetric cells with cycling performance of over 1700 and 1400 h at current densities of 0.1 and 0.2 mA cm~(-2), respectively. Moreover, the full LFP/Li cells using the novel Mg-modified electrolyte delivered a cycling lifespan of over 450 cycles with negligible capacity loss.
Gallium-based anodes for alkali metal ion batteries

Alkali metal ion batteries (AMIBs) are playing an irreplaceable part in the energy revolution, due to their intrinsic advantages of large capacity/power density and abundance of alkali metal ions in the earth's crust. Despite their great promise, the inborn deficiencies of commercial graphite and other anodes being researched so far call for the quest of better alternatives that exhibit all-round performance with the balance of energy/power density and cycling stability. Gallium-based materials, with impressive capacity utilization and self-healing ability, provide an anticipated solution to this conundrum. In this review, an overview on the recent progress of gallium-based anodes and their storage mechanism is presented. The current strategies used as engineering solutions to meet the scientific challenges ahead are discussed, in addition to the insightful outlook for possible future study.
A lithiated gel polymer electrolyte with superior interfacial performance for safe and long-life lithium metal battery

Rechargeable lithium metal batteries (LMBs) have gained much attention recently. However, the short lifespan and safety issues restrict their commercial applications. Here we report a novel gel polymer electrolyte (GPE) based on lithiated poly(vinyl chloride-r-acrylic acid) (PVCAALi) to realize dendritesuppressing and long-term stable lithium metal cycling. PVC chains ensure the quick gelation process and high electrolyte uptake, and lithiated PAA segments enable the increase of mechanical strength, acceleration of lithium-ion transmission and improvement of interfacial compatibility. PVCAALi GPE showed much higher mechanical strength compared with other free-standing GPEs in previous works. It displays a superior ionic conductivity of 1.50 mS cm~(-1) and a high lithium-ion transference number of 0.59 at room temperature. Besides, the lithiated GPE exhibits excellent interfacial compatibility with lithium metal anodes. Lithium symmetrical cells with PVCAALi GPE yield low hysteresis of 50 mV over 1000 h at 1.0 mA cm~(-2). And the possible mechanism of the lithiated GPE with improved lithium-ion transfer and interfacial property was discussed. Accordingly, both the Li_4Ti_5O_(12)/Li and lithium-sulfur (Li-S) cells assembled with PVCAALi GPE show outstanding electrochemical performance, retaining high discharge capacities of 133.8 mAh g~(-1) and 603.8 mAh g~(-1) over 200 cycles, respectively. This work proves excellent application potential of the highly effective and low-cost PVCAALi GPE in safe and long-life LMBs.
Defect passivation by nontoxic biomaterial yields 21% efficiency perovskite solar cells

Defect passivation is one of the most important strategies to boost both the efficiency and stability of perovskite solar cells (PSCs). Here, nontoxic and sustainable forest-based biomaterial, betulin, is first introduced into perovskites. The experiments and calculations reveal that betulin can effectively passivate the uncoordinated lead ions in perovskites via sharing the lone pair electrons of hydroxyl group, promoting charge transport. As a result, the power conversion efficiencies of the p-i-n planar PSCs remarkably increase from 19.14% to 21.15%, with the improvement of other parameters. The hydrogen bonds of betulin lock methylamine and halogen ions along the grain boundaries and on the film surface and thus suppress ion migration, further stabilizing perovskite crystal structures. These positive effects enable the PSCs to maintain 90% of the initial efficiency after 30 days in ambient air with 60%±5% relative humidity, 75% after 300 h aging at 85 ℃, and 55% after 250 h light soaking, respectively. This work opens a new pathway for using nontoxic and low-cost biomaterials from forest to make highly efficient and stable PSCs.
Surface pseudocapacitance of mesoporous Mo_3N_2 nanowire anode toward reversible high-rate sodium-ion storage

Sodium-ion storage devices are highly desirable for large-scale energy storage applications owing to the wide availability of sodium resources and low cost. Transition metal nitrides (TMNs) are promising anode materials for sodium-ion storage, while their detailed reaction mechanism remains unexplored. Herein, we synthesize the mesoporous Mo_3N_2 nanowires (Meso-Mo_3N_2-NWs). The sodium-ion storage mechanism of Mo_3N_2 is systematically investigated through in-situ XRD, ex-situ experimental characterizations and detailed kinetics analysis. Briefly, the Mo_3N_2 undergoes a surface pseudocapacitive redox charge storage process. Benefiting from the rapid surface redox reaction, the Meso-Mo_3N_2-NWs anode delivers high specific capacity (282 mAh g~(-1) at 0.1 A g~(-1)), excellent rate capability (87 mAh g~(-1) at 16 A g~(-1)) and long cycling stability (a capacity retention of 78.6% after 800 cycles at 1 A g~(-1)). The present work highlights that the surface pseudocapacitive sodium-ion storage mechanism enables to overcome the sluggish sodium-ion diffusion process, which opens a new direction to design and synthesize high-rate sodiumion storage materials.
Evolution of the morphology, structural and thermal stability of LiCoO_2 during overcharge

The overcharge behaviors of 1000 mAh LiCoO_2/graphite pouch cells are systematically investigated through the analysis of morphology, structural and thermal stability of LiCoO_2 under different state of charge (SOC) of 120%, 150%, 174%, 190% and 220%. The LiCoO_2 experiences the phase transition from O3 to H1-3 and then O1 together with the grain breakage and boundary slip as evidenced by XRD and SEM analysis respectively, which results in the pronounced Co dissolution after the SOC of 174%. The impedance analysis of the pouch cells and coin cells demonstrates that the main contribution of impedance increase originates from the LiCoO_2 electrode. Under the combined effect of structural collapse, Co dissolution, and electrolyte oxidization, the thermal stability of LiCoO_2 cathode materials reduces with the progressing of overcharge as revealed by differential scanning calorimetry (DSC) results. We hope that this comprehensive understanding can provide meaningful guidance for advancing the overcharge performance of LiCoO_2/graphite pouch cells.
A Li-S battery with ultrahigh cycling stability and enhanced rate capability based on novel ZnO yolk-shell sulfur host

Currently, lithium-sulfur (Li-S) batteries still suffer from fast capacity decay, poor coulombic efficiency (CE) and short cycling lifespan, which result from the severe shuttle effect issue caused by high solubility and rapid diffusion of lithium polysulfides (LiPSs) in organic electrolytes. Here, yolk-shell zinc oxide (YSZnO) spheres are synthesized and for the first time, applied as a host for Li-S batteries to tackle this challenge. The polar ZnO exhibits high chemical anchoring ability toward LiPSs while the unique yolk-shell structure not only provides an additional physical barrier to LiPSs but also enables much more uniform sulfur distribution, thus significantly suppressing LiPSs shuttling effect meanwhile promoting sulfur conversion reactions. As a result, the YS-ZnO enables the Li-S battery to display an initial specific capacity of 1355 mAh g~(-1) and an outstanding capacity retention capability (~89.44% retention rate) even after 500 cycles with the average CE of ~99.46% at the current of 0.5 C. By contrast, the capacity of conventional-ZnO-nanoparticles based battery severely decays to 472 mAh g~(-1) after cycling for 500 times. More impressively, the S/YS-ZnO based Li-S battery can maintain a low decay rate of 0.040% every cycle and high average CE of 98.82% over 1000 cycles at 3 C.