Atomistic understanding of capacity loss in LiNiO_(2)for high-nickel Li-ion batteries:First-principles study

Combining the first-principles calculations and structural enumeration with recognition,the delithiation process of LiNiO_(2)is investigated,where various supercell shapes are considered in order to obtain the formation energy of Li_(x)NiO_(2).Meanwhile,the voltage profile is simulated and the ordered phases of lithium vacancies corresponding to concentrations of 1/4,2/5,3/7,1/2,2/3,3/4,5/6,and 6/7 are predicted.To understand the capacity decay in the experiment during the charge/discharge cycles,deoxygenation and Li/Ni antisite defects are calculated,revealing that the chains of oxygen vacancies will be energetically preferrable.It can be inferred that in the absence of oxygen atom in high delithiate state,the diffusion of Ni atoms is facilitated and the formation of Li/Ni antisite is induced.

In Situ Coupling of Highly Dispersed Ni/Fe Metal-NC Sites and N-Doped 3D Carbon Fibers Toward Free-Standing Bifunctional Cathode for Flexible Zinc-Air Battery

Designing flexible free-standing air-electrode with efficient OER/ORR performance is of vital importance for the application of Zinc-air batteries in flexible electronics.Herein,a flexible free-standing electrode(Ni/Fe-NC/NCF/CC)is synthesized by in-situ coupling of binary Ni/Fe-NC nanocubes and N-doped carbon nanofibers(NCF)rooted on carbon cloth.The highly dispersed binary Ni/Fe-NC sites ensure excellent ORR activity and create efficient OER active sites relative to Ni-NC and Fe-NC.The in-situ coupling of Ni/Fe-NC and NCF constructs a 3D interconnected network structure that not only provides abundant and stabilized reactive sites but also guarantees fast electron transfer and gas transportation,thus achieving efficient and fast operation of ORR/OER.Therefore,Ni/Fe-NC/NCF/CC displays a much positive potential(0.952 V)at 4.0 mA cm^(-2)for ORR and a low OER overpotential(310 mV)at 50 mA cm^(-2).The Zinc-air battery with Ni/Fe-NC/NCF/CC air-electrode exhibits excellent battery performance with outstanding discharge/charge durability for 2150 cycles.The flexible Zn-air batteries with foldable mechanical properties display a high power density of 105.0 mW cm^(-2).This work widened the way to prepare flexible bifunctional air-electrode by designing composition/structure and in-situ coupling.

Experiment Study on the Ending Criteria of Charge and Discharge of Nickel-Hydride Battery

Charge and discharge characteristics of Ni/MH batteries are investigated with experiments. During battery’s working, the voltage, capacity, temperature and internal resistance were recorded, corresponding curves were depicted. Variations of the aforementioned four parameters are differently obvious. Ending criteria of charge and discharge of Ni/MH batteries are discussed on the basis of the curves. Voltage, capacity and temperature of a battery can be used as ending criteria during charge. When discharge takes place, voltage, capacity and internal resistance can be chosen as ending criteria. As a whole, capacity is more suitable for being used as ending criteria of charge and discharge than the other three parameters. At last, the capacity of a battery is recommended to be ending criteria of charge and discharge. The conclusions will provide references to different capacity Ni/MH batteries for electric vehicles.

Synthesis, characterization and electrochemical performance of AlF_3-coated Li_(1.2)(Mn_(0.54)Ni_(0.16)Co_(0.08))O_2 as cathode for Li-ion battery

Li-rich layered transitional metal oxide Li1.2(Mn0.54Ni0.16Co0.08)O2 was prepared by sol-gel method and further modified by AlF3 coating via a wet process. The bare and AlF3-coated Li1.2(Mn0.54Ni0.16Co0.08)O2 samples were characterized by X-ray diffraction(XRD), scanning electron microscope(SEM), and high resolution transmission electron microscope(HRTEM). XRD results show that the bare and AlF3-coated samples have typical hexagonal α-Na Fe O2 structure, and AlF3-coated layer does not affect the crystal structure of the bare Li1.2(Mn0.54Ni0.16Co0.08)O2. Morphology measurements present that the AlF3 layer with a thickness of 5-7 nm is coated on the surface of the Li1.2(Mn0.54Ni0.16Co0.08)O2 particles.Galvanostatic charge-discharge tests at various rates show that the AlF3-coated Li1.2(Mn0.54Ni0.16Co0.08)O2 has an enhanced electrochemical performance compared with the bare sample. At 1C rate, it delivers an initial discharge capacity of 208.2 m A·h/g and a capacity retention of 72.4% after 50 cycles, while those of the bare Li1.2(Mn0.54Ni0.16Co0.08)O2 are 191.7 m A·h/g and 51.6 %, respectively.

汽车电池用La-Mg-Ni基储氢合金的元素替代及电化学性能

采用感应熔炼方法制备了La_(0.7)R_(0.1)Mg_(0.2)Ni_(3.35)Al_(0.15)(R=La/Nd/Sm)储氢合金,研究了稀土元素Nd/Sm替代La对储氢合金相结构和电化学性能的影响。结果表明,采用Nd或Sm替代La时,储氢合金物相组成未发生改变,仍由LaNi_(5)、(LaMg)_(2)Ni_(7)和(LaMg)_(5)Ni_(19)相组成,但储氢合金中LaNi_(5)相和(LaMg)_(5)Ni_(19)相丰度会增加、(LaMg)_(2)Ni_(7)相丰度减小。R为La、Nd和Sm时储氢合金的最大放电比容量均在第2次充放电循环时获得,分别为377 mAh/g、382 mAh/g和376 mAh/g;采用Nd或Sm替代La,储氢合金高倍率放电性能、24 h荷电保持率和充放电循环100次时的容量保持率都不同程度地增加,且R为Nd时储氢合金的相应值最大。采用Nd或Sm替代La会使得储氢合金的交换电流密度、氢扩散系数增加,储氢合金电极的高倍率放电性能与交换电流密度和氢扩散系数变化趋势一致,表明储氢合金电极的高倍率放电性能由交换电流密度和氢扩散系数共同决定。

Bimetallic Nickel Cobalt Sulfide as E cient Electrocatalyst for Zn–Air Battery and Water Splitting

The development of e cient earth-abundant electrocatalysts for oxygen reduction, oxygen evolution, and hydrogen evolution reactions(ORR, OER, and HER) is important for future energy conversion and energy storage devices, for which both rechargeable Zn–air batteries and water splitting have raised great expectations. Herein, we report a single-phase bimetallic nickel cobalt sulfide((Ni,Co)S_2) as an e cient electrocatalyst for both OER and ORR. Owing to the synergistic combination of Ni and Co, the(Ni,Co)S_2 exhibits superior electrocatalytic performance for ORR, OER, and HER in an alkaline electrolyte, and the first principle calculation results indicate that the reaction of an adsorbed O atom with a H_2O molecule to form a *OOH is the potential limiting step in the OER. Importantly, it could be utilized as an advanced air electrode material in Zn–air batteries, which shows an enhanced charge–discharge performance(charging voltage of 1.71 V and discharge voltage of 1.26 V at 2 mA cm^(-2)), large specific capacity(842 mAh g_(Zn)^(-1) at 5 mA cm^(-2)), and excellent cycling stability(480 h). Interestingly, the(Ni,Co)S_2-based Zn–air battery can e ciently power an electrochemical water-splitting unit with(Ni,Co)S_2 serving as both the electrodes. This reveals that the prepared(Ni,Co)S_2 has promising applications in future energy conversion and energy storage devices.

3D skeleton nanostructured Ni_3S_2/Ni foam@RGO composite anode for high-performance dual-ion battery

The growing global demands of safe, low-cost and high working voltage energy storage devices trigger strong interests in novel battery concepts beyond state-of-art lithium-ion battery. Herein, a dualion battery based on nanostructured Ni_3S_2/Ni foam@RGO(NSNR) composite anode is developed, utilizing graphite as cathode material and LiPF6-VC-based solvent as electrolyte. The battery operates at high working voltage of 4.2–4.5 V, with superior discharge capacity of ～90 m A h g^(-1) at 100 mA g^(-1), outstanding rate performance, and long-term cycling stability over 500 cycles with discharge capacity retention of ～85.6%. Moreover, the composite simultaneously acts as the anode material and the current collector, and the corrosion phenomenon can be greatly reduced compared to metallic Al anode. Thus, this work represents a significant step forward for practical safe, low-cost and high working voltage dual-ion batteries,showing attractive potential for future energy storage application.

Flexible rechargeable Ni//Zn battery based on self-supported NiCo_2O_4 nanosheets with high power density and good cycling stability

The overall electrochemical performances of Ni-Zn batteries are still far from satisfactory, specifically for rate performance and cycling stability Herein, we demonstrated a high-performance flexible Ni//Zn battery with outstanding durability and high power density based on selfsupported NiCo_2 O_4 nanosheets as cathode and Zn nanosheets as anode. This Ni//Zn battery is able to deliver a remarkable capacity of183.1 mAh g^(-1) and a good cycling performance(82.7% capacity retention after 3500 cycles). More importantly, this battery achieves an admirable power density of 49.0 kW kg^(-1) and energy density of 303.8 Wh kg^(-1), substantially higher than most recently reported batteries. With such excellent electrochemical performance, this battery will have great potential as an ultrafast power source in practical application.

Enhanced electrochemical properties of LaFeO_3 with Ni modification for MH–Ni batteries

In this work,we synthesized LaFeO_3–xwt%Ni(x=0,5,10,15)composites via a solid-state reaction method by adding Ni to the reactants,La_2O_3 and Fe_2O_3.Field-emission scanning electron microscopy(FE-SEM)and energy-dispersive X-ray spectroscopy(EDS)results revealed that Ni powders evenly dispersed among the LaFeO_3 particles and apparently reduced their aggregation,which imparted the composites with a loose structure.Moreover,the Ni formed a conductive network,thus improving the conductivity of the composites.The maximum discharge capacity of the LaFeO_3 electrodes remarkably increased from 266.8 mAh·g^(–1)(x=0)to 339.7 mAh·g^(–1)(x=10).In particular,the high-rate dischargeability of the LaFeO_3–10wt%Ni electrode at a discharge current density of 1500 mA·g^(-1) reached 54.6%,which was approximately 1.5 times higher than that of the pure LaFeO_3.Such a Ni-modified loose structure not only increased the charge transfer rate on the surface of the LaFeO_3 particles but also enhanced the hydrogen diffusion rate in the bulk LaFeO_3.

Graphene-immobilized flower-like Ni3S2 nanoflakes as a stable binder-free anode material for sodium-ion batteries

A binder-free Ni3S2 electrode was prepared directly on a graphene-coated Ni foam （G/Ni） substrate through surface sulfiding of substrate using thiourea as the sulfur source in this work. The Ni3S2 showed a flower-like morphology and was uniformly distributed on the G/Ni surface. The flower-like Ni3S2 was composed of cross-arrayed nanoflakes with a diameter and a thickness of 1-2 μm and -50 nm, re- spectively. The free space in the flowers and the thin feature of Ni3S2 buffered the volume changes and relieved mechanical strain during re- peated cycling. The intimate contact with the Ni substrate and the fixing effect of graphene maintained the structural stability of the Ni3S2 electrode during cycling. The G/Ni-supported Ni3S2 maintained a reversible capacity of 250 mAh·g^-1 after 100 cycles at 50 mA·g^-1, demon- strating the good cycling stability as a result of the unique microstructure of this electrode material.

Bifunctional Oxygen Electrocatalyst of Mesoporous Ni/NiO Nanosheets for Flexible Rechargeable Zn–Air Batteries

One approach to accelerate the stagnant kinetics of both the oxygen reduction and evolution reactions(ORR/OER)is to develop a rationally designed multiphase nanocomposite,where the functions arising from each of the constituent phases,their interfaces,and the overall structure are properly controlled.Herein,we successfully synthesized an oxygen electrocatalyst consisting of Ni nanoparticles purposely interpenetrated into mesoporous NiO nanosheets(porous Ni/NiO).Benefiting from the contributions of the Ni and NiO phases,the well-established pore channels for charge transport at the interface between the phases,and the enhanced conductivity due to oxygen-deficiency at the pore edges,the porous Ni/NiO nanosheets show a potential of 1.49 V(10 mA cm^-2)for the OER and a half-wave potential of 0.76 V for the ORR,outperforming their noble metal counterparts.More significantly,a Zn-air battery employing the porous Ni/NiO nanosheets exhibits an initial charging-discharging voltage gap of 0.83 V(2 mA cm^-2),specific capacity of 853 mAh gZn^-1 at 20 mA cm^-2,and long-time cycling stability(120 h).In addition,the porous Ni/NiO-based solid-like Zn-air battery shows excellent electrochemical performance and flexibility,illustrating its great potential as a next-generation rechargeable power source for flexible electronics.

A 4H–SiC betavoltaic battery based on a ^(63)Ni source

A 4H–SiC–^(63)Ni p–n-junction-based betavoltaic battery is investigated. The Monte Carlo method is used to simulate the self-absorption effect of the ^(63)Ni source, the backscattering process, and the transport of beta particles in 4H–SiC material. The main factors that affect the energy conversion efficiencies of the cell are analyzed. Based on the simulation results, it can be calculated that, when the thickness of the ^(63)Ni source increases from 2 ×10^(-3) to10 lm, the theoretical maximum device conversion efficiency increases from 16.77 to 23:51% and the total conversion efficiency decreases from 16.73 to 1:48%.Furthermore, a feasible design with a maximum output power density of 0:36 μW=cm^2 and an optimal device conversion efficiency of 23:5% is obtained.

Preparation and Electrochemical Performances of Nickel Metal Hydride Batteries with High Specific Volume Capacity

Cylindrical nickel metal hydride （Ni-MH） battery with high specific volume capacity was prepared by using the oxyhydroxide Ni（OH）2 and AB5 type hydrogen storage alloy and adjusting the designing parameters of positive and negative electrodes. The oxyhydroxide Ni（OH）2 was synthesized by oxidizing spherical β-Ni（OH）2 with chemical method. The X-ray diffraction （XRD） patterns and the Fourier transform infrared （PT-IR） spectra indicated that 7-NiOOH was formed on the oxyhydroxide Ni（OH）2 powders, and some H2O molecules were inserted into their crystal lattice spacing. The battery capacity could not be improved when the oxyhydroxide Ni（OH）2 sample was directly used as the positive active materials. However, based on the conductance and residual capacity of the oxyhydroxide Ni（OH）2 powders, AA size Ni-MH battery with 2560 mA.h capacity and 407 W·h·L^-1 specific volume energy at 0.2C was obtained by using the commercial spherical β-Ni（OH）2 and AB5-type hydrogen-storage alloy powders as the active materials when 10% mass amount of the oxyhydroxide Ni（OH）2 with 2.50 valence was added to the positive active materials and subsequently the battery designing parameters were adjusted as well. The as-prepared battery showed 70% initial capacity after 80 cycles at 0.5C. The possibility for adjusting the capacity ratio of positive and negative electrodes from 1 ： 1.35 to 1 ： 1.22 was demonstrated preliminarily. It is considered the as-prepared battery can meet the requirement of some special portable electrical instruments.

Synthesis of silk-like FeS_2/NiS_2 hybrid nanocrystals with improved reversible oxygen catalytic performance in a Zn-air battery

The development of highly active and stable reversible oxygen electrocatalysts is crucial for improving the efficiency of metal‐air battery devices.Herein,an efficient liquid exfoliation strategy was designed for producing silk‐like FeS2/NiS2 hybrid nanocrystals with enhanced reversible oxygen catalytic performance that displayed excellent properties for Zn‐air batteries.Because of the unique silk‐like morphology and interface nanocrystal structure,they can catalyze the oxygen evolution reaction(OER)efficiently with a low overpotential of 233 mV at j=10 mA cm?2.This is an improvement from the recently reported catalysts in 1.0 M KOH.Meanwhile,the oxygen reduction reaction(ORR)activity of the silk‐like FeS2/NiS2 hybrid nanocrystals showed an onset potential of 911 mV and a half‐wave potential of 640 mV.In addition,the reversible oxygen electrode activity of the silk‐like FeS2/NiS2 hybrid nanocrystals was calculated to be 0.823 V,based on the potential of the OER and ORR.Further,the homemade rechargeable Zn‐air batteries using FeS2/NiS2 hybrid nanocrystals as the air‐cathode displayed a high open‐circuit voltage of 1.25 V for more than 17 h and an excellent rechargeable performance for 25 h.The solid Zn‐air batteries exhibited an excellent rechargeable performance for 15 h.This study provided a new method for designing interface nanocrystals with a unique morphology for efficient multifunctional electrocatalysts in electrochemical reactions and renewable energy devices.

The design and fabrication of Co3O4/Co3V2O8/Ni nanocomposites as high-performance anodes for Li-ion batteries

The CoO/CoVO/Ni nanocomposites were rationally designed and prepared by a two-step hydrothermal synthesis and subsequent annealing treatment. The one-dimensional（1D） CoOnanowire arrays directly grew on Ni foam, whereas the 1D CoVOnanowires adhered to parts of CoOnanowires.Most of the hybrid nanowires were inlayed with each other, forming a 3D hybrid nanowires network.As a result, the discharge capacity of CoO/CoVO/Ni nanocomposites could reach 1201.8 mAh/g after100 cycles at 100 mA/g. After 600 cycles at 1 A/g, the discharge capacity was maintained at 828.1 mAh/g.Moreover, even though the charge/discharge rates were increased to 10 A/g, it rendered reversible capacity of 491.2 mAh/g. The superior electrochemical properties of nanocomposites were probably ascribed to their unique 3D architecture and the synergistic effects of two active materials. Therefore, such CoO/CoVO/Ni nanocomposites could potentially be used as anode materials for high-performance Li-ion batteries.

Recovery of cadmium by high-temperature vaccum evaporation from Ni-Cd batteries

High temperature vaccum evaporation is a recycling technology that includes a selective material recovering process. The fundamental research on a process of disassembling and recovering selected materials from Ni Cd batteries was conducted using self designed experimental apparatus. An effective recycling technology based on the evaporation phenomenon of batteries and the elements of cadmium under the laboratory condition was studied. The results show that: (1)Ni/Cd can be effectively recovered by vacuum distillation at appropriate temperature, pressure and time, and high purity cadmium (>99%) can be obtained through the process; (2)the effective distillatory temperature should be at the range of 5731 173 K; (3)the higher the evaporation temperature, the lower the purity of cadmium in condensate

Improved electrochemical performances of yttrium oxyfluoride-coated Li[Li0.2Mn0.54Ni0.13Co0.13]O2 for lithium ion batteries

The Li-rich layered oxides show a higher discharge capacity over 250 mAh/g and have been developed into a promising positive material for lithium ion batteries. A rare earth metal oxyfluoride YOF-coated Li[Lio.2Mno.54Ni0.13Co0.13]O2 composites have been synthesized by a simple wet chem- ical method. Crystal structure, micro-morphology and element valence of the pristine and YOF-coated Li[Li0.2Mn0.54Ni0.13Co0.13]O2 materials are characterized by XRD, SEM, TEM, and XPS. The results indicate that all materials exhibit a typical layered structure, and are made up of small and homogenous parti- cles ranging from 100 nm to 200 nm. In addition, YOF layer with a thickness of approximately 3-8 nm is precisely coated on the surface of the Li[Li0.2Mn0.54Ni0.13Co0.13]02. Constant current charge/discharge tests at various current densities show that the electrochemical performance of 2 wt% YOF-coated Li[Li0.2Mn0.54Ni0.13Co0.13]O2 has been improved significantly. 2 wt% YOF-coated Li[Li0.2Mn0.54Ni0.13Co0.13]O2 delivers the highest discharge capacity of 250.4 mAh/g at 20 mA/g among all the samples, and capacity retention of 87% after 100 charge/discharge cycles at 200 mA/g while that of the pristine one is only 81.6%. The superior electrochemical performance of 2wt% YOF-coated sample is ascribed to YOF coating layer, which could not only reduce side reactions between the electrode and liquid electrolyte, but also promote lithium ion migration.

The Bacteria Absorption-based Yolk-Shell Ni3P-Carbon @ Reduced Graphene Oxides for Lithium-Ion Batteries

Traditional carbon layer enwrapping active materials cannot easily realize perfect cladding.Therefore,it still cannot prevent the pulverization of active materials during the course of charging/discharging.In this paper,we utilize natural bacteria to absorb nickel acetate,the active materials Ni3P nanoparticles are well enwrapped,as a natural organisms surviving for billions of years,their cell walls have a perfect carbon structure,and the cell walls become carbon layer through high annealing temperature.Based on this,the yolk-shell Ni3P–carbon@reduced graphene oxides paper is prepared,through a proper annealing temperature,the Ni3P particles disperse in the inner surface or both ends,so the active materials were prevented from dissolving into the electrolyte,so it may keep from invalidity during charging/discharging.The electrochemical performances display that it has stable and high capacities as Li-ion batteries(LIBs)anode.Its capacity can keep 200 cycles without any decrease,and especially its rate performance exhibits an excellent peculiarity,with the current density increasing from 400 to 1000 mA g^(−1) every 200 mA g^(−1),its capacities decrease only 9.8%,2.9%and 6.4%,and its can recover the same capacity when the current density comes back to 200 mA g^(−1).It may be a fine choice for LIBs.

In-situ growth of CoNi bimetal anchored on carbon nanoparticle/nanotube hybrid for boosting rechargeable Zn-air battery

Exploring highly efficient non-precious metal based catalysts for bifunctional oxygen electrode is crucial for rechargeable metal-air batteries.In this study,with MOFs as precursors,a facile coprecipitation method is designed to realize in-situ growth of the CoNi anchored carbon nanoparticle/nanotube(CoNi/N-CNN)hybrid,which can achieve the simultaneous maximum exposure of both oxygen evolution reaction(OER)and oxygen reduction reaction(ORR)active centers.Benefiting from the unique structure,the CoNi/N-CNN catalyst exhibits excellent electrocatalytic performance for ORR(E_(onset)=1.183 V,E_(1/2)=0.819 V)and a low operating voltage of 1.718 V at 10 mA cm^(−2)(Ej=10)for OER.Delightfully,the home-made rechargeable Zn-air battery with CoNi/N-CNN delivers a high discharge power density up to 209 mW cm^(−2),and an outstanding charge–discharge cycling stability.The boosted bifunctional electrocatalytic activity can be ascribed to the strong coupling effect between Co/Ni center sites and defect-rich N-anchored carbon featured with porous and nanotube structure,which can introduce uniformly dispersed active sites,tailored electronic configuration,superb conductivity and convenient charge transfer process.The hybrid non-precious bimetal based electrocatalyst provides the possibility to develop the low-cost and high-efficient ORR/OER bifunctional electrocatalysts in rechargeable metal-air battery.

First-principles study of interphase Ni_3Sn in Sn-Ni alloy for anode of lithium ion battery

This paper investigates the mechanism of Li insertion into interphase Ni3Sn in Ni-Sn alloy for the anode of lithium ion battery by means of the first-principles plane-wave pseudopotential. Compared with other phases, it is found that the Ni3Sn has larger relative expansion ratio and lower electrochemical potential, with its specific plateaus voltage around 0.3 eV when lithium atoms are filled in all octahedral interstitial sites, and the relative expansion ratio increasing dramatically when the lithiated phase transits from octahedral interstitial sites to tetrahedral interstitial sites. So this phase is a devastating phase for whole alloy electrode materials.