Phase evolution in calcium molybdate nanoparticles as a function of synthesis temperature and its electrochemical effect on energy storage

Minakshi, Manickam; Mitchell, David R. G.; Baur, Christian; Chable, Johann; Barlow, Anders J.; Fichtner, Maximilian; Banerjee, Amitava; Chakraborty, Sudip; Ahuja, Rajeev

doi:10.1039/c8na00156a

Cited by 58 publications

(27 citation statements)

References 36 publications

(63 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We used the Vienna Ab Initio Simulation Package (VASP) [17] with Projector Augmented Wave (PAW) type pseudo-potentials for core electrons, and the generalized gradient approximation (GGA) of Perdew-Becke-Ernzerhof (PBE) [18] was used for the exchange-correlation functional. Note that DFT calculations based on the VASP have often been used for the electrochemical characterization of battery electrodes [19][20][21][22]. An energy cutoff of 400 eV and gamma-point only k-point sampling schemes were applied for the cluster system of Si NPs.…”

Section: Computational Detailsmentioning

confidence: 99%

Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles

2019

View full text Add to dashboard Cite

We reported the theoretical understandings of the detailed structural and thermodynamic mechanism of the actual lithiation process of silicon nanoparticle systems based on atomistic simulation approaches. We found that the rearrangement of the Si bonding network is the key mechanism of the lithiation process, and that it is less frequently broken by lithiation in the smaller sizes of Si nanoparticles. The decreased lithiation ability of the Si nanoparticles results in the lithiation potential being significantly lower than that of crystalline silicon phases, which impedes the full usage of the theoretical maximum capacity. Thus, nanosized Si materials could have a negative effect on performance if they become too fine-sized. These findings provide a detailed view of the electrochemical lithiation process of silicon nanoparticles (Si NPs) and engineering guidelines for designing new Si-based nanostructured materials.

show abstract

Section: Computational Detailsmentioning

confidence: 99%

Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles

2019

View full text Add to dashboard Cite

show abstract

“…XRD is a rapid investigation method, mainly, which is utilized for the identification of a crystalline and molecular structure material and can provide information on unit cell dimensions [ 31 , 32 ]. Figure 4 shows the XRD pattern of hybrid CNTs; there was the strongest diffraction peak at 2ϴ = 24.31 corresponding to (002) reflection, which corresponded to the crystalline and cylinder structure [ 33 ].…”

Section: Resultsmentioning

confidence: 99%

Synthesis, Characterization, and Analysis of Hybrid Carbon Nanotubes by Chemical Vapor Deposition: Application for Aluminum Removal

et al. 2020

View full text Add to dashboard Cite

Hybrid carbon nanotubes (CNTs) are grown on biomass powder-activated carbon (bio-PAC) by loading iron nanoparticles (Fe) as catalyst templates using chemical vapor deposition (CVD) and using acetylene as carbon source, under specific conditions as reaction temperature, time, and gas ratio that are 550 °C, 47 min, and 1, respectively. Specifications of hybrid CNTs were analyzed and characterized using field emission scanning electron microscope (FESEM) with energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopic (TEM), Fourier-transform infrared (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), surface area Brunauer–Emmett–Teller (BET), and zeta potential. The results revealed the high quality and unique morphologies of hybrid CNTs. Furthermore, removal and capacity of Al3+ were optimized by response surface methodology (RSM). However, the results revealed that the pseudo-second-order model well represented adsorption kinetic data, while the isotherm data were effectively fitted using a Freundlich model. The maximum adsorption capacity was 347.88 mg/g. It could be concluded that synthesized hybrid CNTs are a new cost-effective and promising adsorbent for removing Al3+ ion from wastewater.

show abstract

“…After 50 cycles, the Si anode in EC-based electrolyte only retained 58% of the initial capacity, whereas the capacity retention of Si anode in FEC-or VC-based electrolyte achieved 73%-81%. In addition, FEC is also used for sodium-ion batteries to improve stability of novel binary transition metal oxides [19,20], where the electrodes suffer a larger volume change than ones in lithium-ion batteries during cycling due to the larger size of Na + (1.02 Å) than Li + (0.76 Å). For example, by adding 2 wt% FEC to EC-based electrolyte, nickel molybdate (NiMoO 4 ) anode can display a reversible capacity of 245 mAh g −1 and a capacity retention of 82% at 50th cycle [20].…”

Section: Electrochemical Coatingmentioning

confidence: 99%

An alternative means of advanced energy storage by electrochemical modification

et al. 2020

View full text Add to dashboard Cite

cn and fli@imr.ac.cnElectrochemical energy storage technologies represented by lithium-ion batteries and electrochemical capacitors have played key roles in the modern smart-grid. However, the rapid development of the terminal markets, including electric vehicles and portable intelligent electronic devices, requires significant breakthroughs in respect to energy density, power density, cost, life cycle and safety, etc This means an urgent need to go beyond the current energy-storage technologies of lithium-insertion and electrical double-layer chemistry. Because of the high energies involved, the alloy-type and conversion-type chemistries have caused widespread concern in recent years [1][2][3][4][5]. However, they often suffer more significant problems, including poor kinetics, large volume changes and the presence of soluble intermediates. To solve these issues, the major focus has been on material engineering by nanotechnology. Through morphology control and nanostructuring, many novel active materials have showed promising electrochemical performance in a laboratory cell [6][7][8][9][10]. However, nanotechnology that is cost-effective and can be used on an industrial scale is still lacking. On the other hand, in many studies, lithium metal was directly used as a counter electrode, which may form lithium dendries and cause significant safety issues, such as short-circuit, burning and explosion.In this perspective, we will show that electrochemical modification can be a more efficient and beneficial way of developing high-performance energy-storage devices than material engineering. A schematic of electrochemical modification is shown in figure 1. The modified materials are then used as the cathode and anode in an electrochemical system where they are matched with a specific electrolyte and an auxiliary electrode. During modification, two individual circuits of anode//auxiliary electrode (V 1 ) and cathode//auxiliary electrode (V 2 ) are connected. Rational electrochemical-reaction techniques, i.e. galvanostatic discharge/charge, constant voltage discharge/charge, pulse charge, short circuit, etc, are conducted to produce changes in the electrode properties, such as surface chemistry, charge density and crystal structure. The auxiliary electrode plays the same role as a counter electrode, which should have a larger area than the modified electrode. As a result, the polarization of auxiliary electrode can be ingnored during modification, and thus the modification can be conducted effectively. Moreover, the reaction products of auxiliary electrode should not affect the reaction of modified electrode. Common auxiliary electrodes includes the copper, platinum, lithium and so on. After modification, an advanced energy-storage device that combines the optimized cathode and anode (V 3 ) is obtained which gives an excellent electrochemical performance. Electrochemical modification has the following advantages. First, it can be performed after electrode preparation or even device assembly, which is compatible with the c...

show abstract

Phase evolution in calcium molybdate nanoparticles as a function of synthesis temperature and its electrochemical effect on energy storage

Abstract: A thin layer of amorphous carbon on the surface of CaMoO4 synthesized at a lower temperature suitable for sodium devices storing energy.

Cited by 58 publications

References 36 publications

Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles

Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles

Synthesis, Characterization, and Analysis of Hybrid Carbon Nanotubes by Chemical Vapor Deposition: Application for Aluminum Removal

An alternative means of advanced energy storage by electrochemical modification

Contact Info

Product

Resources

About