scholarly journals First principles calculations and experiments for Cu-Mg/Li hydrides negative electrodes

2013 ◽  
Vol 1496 ◽  
Author(s):  
M.H. Braga ◽  
V. Stockhausen ◽  
M. Wolverton ◽  
J.A. Ferreira ◽  
J.C.E. Oliveira
Keyword(s):  
First Principles ◽  
Specific Capacity ◽  
Negative Electrode ◽  
Hydrogen Desorption ◽  
X Ray Diffraction ◽  
Incoherent Neutron Scattering ◽  
Negative Electrodes ◽  
Work First ◽  
Negative Electrode Material ◽  
Incoherent Neutron

ABSTRACTWe have studied CuLi0.08Mg1.92 and determined that the compound reacts with hydrogen to form CuLi0.08Mg1.92H5 [1]. Additionally, we have proposed the compound as a negative electrode material which is the main purpose of the present study. Moreover, we have observed that the latter compound acts as a catalyst in the formation of MgH2, LiH, TiH2 [2] and hydrogen desorption. In this work, first principles and phonon calculations were performed in order to establish the reactions occurring at the negative electrode of a Li conversion battery in presence of CuLi0.08Mg1.92H5 and (Li) – solid solution of Mg in Li – approximately Li2Mg3. We have calculated the minimum theoretical specific capacity to be 1156 mAh/g (for an anode with 100% of CuLi0.08Mg1.92H5) and the △Eeq = 0.81 V (vs. Li+/Li) at 298 K. Furthermore, we have determined all the reactions occurring in the referred system and its sequence using Inelastic Incoherent Neutron Scattering (IINS) and X-Ray Diffraction (XRD).

Application of the “confusion principle” to Sn-based materials as negative electrode materials for Li-ion batteries

2010 ◽  
Vol 88 (2) ◽  
pp. 131-135 ◽  
Author(s):  
P. P. Ferguson ◽  
J. R. Dahn
Keyword(s):  
Electrode Materials ◽  
Specific Capacity ◽  
Negative Electrode ◽  
Alloy Sample ◽  
X Ray Diffraction ◽  
Cycle Number ◽  
Xrd Pattern ◽  
Li Ion ◽  
Xrd Patterns ◽  
Negative Electrode Material

The “confusion principle” (Greer. Nature, 366, 303 (1993)) is applied to tin-3d transition metals carbon alloys to obtain a nanostructured negative electrode material. Various Sn–TMs–C samples with TMs = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu (all included with same atomic ratios) were prepared by mechanical milling and by mechanical alloying. Each 10-component alloy sample was examined structurally using X-ray diffraction (XRD) and electrochemically using Li/Sn–TM–C cells. The sample Sn10TMs80C10 showed a nanostructured or amorphous-type XRD pattern, which shows the validity of this principle. XRD patterns of samples prepared with higher Sn atomic content showed crystalline features of Sn-based intermetallics. As expected, a very low specific capacity ( [Formula: see text]100 mAh/g) was observed for the sample Sn10TMs80C10. The sample Sn30TMs30C40 had the highest specific capacity (near 400 mAh/g) of the samples prepared. However, features of Sn aggregation were noticed at cycle number 80 of the latter sample, which are normally detrimental to the capacity retention upon further cycling.

scholarly journals Strong texturing of lithium metal in batteries

2017 ◽  
Vol 114 (46) ◽  
pp. 12138-12143 ◽  
Author(s):  
Feifei Shi ◽  
Allen Pei ◽  
Arturas Vailionis ◽  
Jin Xie ◽  
Bofei Liu ◽  
...  
Keyword(s):  
Energy Density ◽  
Anode Materials ◽  
Specific Capacity ◽  
Negative Electrode ◽  
High Energy ◽  
Point Of View ◽  
High Energy Density ◽  
Cathode Side ◽  
X Ray Diffraction ◽  
Negative Electrode Material

Lithium, with its high theoretical specific capacity and lowest electrochemical potential, has been recognized as the ultimate negative electrode material for next-generation lithium-based high-energy-density batteries. However, a key challenge that has yet to be overcome is the inferior reversibility of Li plating and stripping, typically thought to be related to the uncontrollable morphology evolution of the Li anode during cycling. Here we show that Li-metal texturing (preferential crystallographic orientation) occurs during electrochemical deposition, which governs the morphological change of the Li anode. X-ray diffraction pole-figure analysis demonstrates that the texture of Li deposits is primarily dependent on the type of additive or cross-over molecule from the cathode side. With adsorbed additives, like LiNO3 and polysulfide, the lithium deposits are strongly textured, with Li (110) planes parallel to the substrate, and thus exhibit uniform, rounded morphology. A growth diagram of lithium deposits is given to connect various texture and morphology scenarios for different battery electrolytes. This understanding of lithium electrocrystallization from the crystallographic point of view provides significant insight for future lithium anode materials design in high-energy-density batteries.

Cu–Al–Si alloy anode material with enhanced electrochemical properties for lithium ion batteries

2019 ◽  
Vol 12 (04) ◽  
pp. 1950054 ◽  
Author(s):  
Huilin Fan ◽  
Youhong Wang ◽  
Mingxiang Yu ◽  
Kangkang Wang ◽  
Junting Zhang ◽  
...  
Keyword(s):  
Anode Material ◽  
Electrode Material ◽  
Coulombic Efficiency ◽  
Specific Capacity ◽  
Negative Electrode ◽  
Lithium Ion ◽  
Alloy Anode ◽  
Multiple Mixing ◽  
Negative Electrode Material ◽  
Circular Outline

The microstructure and electrochemical property of Cu–Al–Si alloy anode material are studied in this paper. The research shows that the alloy particle has a basic circular outline, and two copper-rich phases with different silicon contents are detected in the particle, and both phases with nanostructure are observed in its surface layer. The nano-silicon alloy negative electrode material needs to be used in a certain proportion with graphite, binder and conductive agent, and the stirring process also has an important influence on its electrochemical performance. Multiple mixing can achieve a better cycle retention compared to direct mixing. The first-cycle coulombic efficiency of the electrode material is improved up to about 90%, and the specific capacity is still higher than 500[Formula: see text]mAh[Formula: see text]g[Formula: see text] after 100 cycles. The battery manufacturing process is similar to the graphite negative electrode, so it is easy to be applied.

The Electrochemistry of Germanium Nitride Versus Lithium

2002 ◽  
Vol 756 ◽  
Author(s):  
N. Pereira ◽  
M. Balasubramanian ◽  
L. Dupont ◽  
J. McBreen ◽  
L. C. Klein ◽  
...  
Keyword(s):  
Negative Electrode ◽  
Reversible Capacity ◽  
Ex Situ ◽  
X Ray Diffraction ◽  
Selective Area ◽  
Transmission Electron ◽  
Electrochemically Active ◽  
Li Ion ◽  
Negative Electrode Material

ABSTRACTGermanium nitride (Ge3N4) was examined as a potential negative electrode material for Li-ion batteries. The electrochemistry of Ge3N4 versus Li showed high reversible capacity (500mAh/g) and good capacity retention during cycling. A combination of ex-situ and in-situ x-ray diffraction (XRD), ex-situ transmission electron microscopy (TEM) and ex-situ selective area electron diffraction (SAED) analyses revealed evidence supporting the conversion of a layer of Ge3N4 crystal into an amorphous Li3N+LixGe nanocomposite during the first lithiation. The nanocomposite was electrochemically active via a reversible Li-Ge alloying reaction while a core of unreacted Ge3N4 crystal remained inactive. The lithium/metal nitride conversion reaction process was kinetically hindered resulting in limited capacity. Mechanical milling was found to improve the material capacity.

Hydrogenation and Discharge Capacity of a La0.7Mg0.3Al0.3Mn0.4Co0.5Ni3.8 Alloy for Nickel-Metal Hydride Batteries

2010 ◽  
Vol 660-661 ◽  
pp. 128-132
Author(s):  
Julio César Serafim Casini ◽  
Lia Maria Carlotti Zarpelon ◽  
Eliner Affonso Ferreira ◽  
Hidetoshi Takiishi ◽  
Rubens Nunes de Faria Jr.
Keyword(s):  
Discharge Capacity ◽  
Metal Hydride ◽  
High Pressures ◽  
Negative Electrode ◽  
X Ray Diffraction ◽  
Nickel Metal ◽  
Nickel Metal Hydride ◽  
Negative Electrodes ◽  
The Mean

The preparation of negative electrodes for nickel-metal hydride (Ni-MH) batteries using a La0.7Mg0.3Al0.3Mn0.4Co0.5Ni3.8 alloy in the as-cast state has been carried out. The alloy was mechanically crushed (<44 m) and a battery was manufactured with this material. The mean discharge capacity achieved using this method was 384 mAh/g. Another two batteries were prepared using a hydrogen powdered La0.7Mg0.3Al0.3Mn0.4Co0.5Ni3.8 alloy at low and high pressures (2-10 bar). It has been shown that hydrogen powdering facilitates the activation of the negative electrode for Ni-MH batteries. This study also included the characterization of the hydrogenated and crushed powders. These materials were investigated by scanning electron microscopy (SEM) and X-ray diffraction (XRD).

scholarly journals Electrodeposited Cu/MWCNT composite-film: a potential current collector of silicon-based negative-electrodes for Li-Ion batteries

RSC Advances ◽  
2019 ◽  
Vol 9 (38) ◽  
pp. 21939-21945 ◽  
Author(s):  
Masahiro Shimizu ◽  
Tomonari Ohnuki ◽  
Takayuki Ogasawara ◽  
Taketoshi Banno ◽  
Susumu Arai
Keyword(s):  
Carbon Nanotubes ◽  
Negative Electrode ◽  
Current Collector ◽  
Li Ion Batteries ◽  
Negative Electrodes ◽  
New Type ◽  
High Theoretical Capacity ◽  
Li Ion ◽  
Silicon Based ◽  
Negative Electrode Material

To develop the potential high theoretical capacity of Si as a negative electrode material for Li-ion batteries, a new type of composite current collector in which carbon nanotubes (CNTs) are immobilized on a Cu surface was developed using an electroplating technique.

Fe3O4 nanoparticles embedded in cellulose nanofibre/graphite carbon hybrid aerogels as advanced negative electrodes for flexible asymmetric supercapacitors

2018 ◽  
Vol 6 (36) ◽  
pp. 17378-17388 ◽  
Author(s):  
Liaoyuan Xia ◽  
Xiangling Li ◽  
Xian Wu ◽  
Le Huang ◽  
Yu Liao ◽  
...  
Keyword(s):  
Electrode Material ◽  
Fe3o4 Nanoparticles ◽  
High Performance ◽  
Rational Design ◽  
Negative Electrode ◽  
Asymmetric Supercapacitors ◽  
Bottom Up ◽  
Negative Electrodes ◽  
Hybrid Aerogels ◽  
Negative Electrode Material

A simple and scalable bottom-up strategy is developed for the rational design and preparation of a high-performance 3-D CNF/MWCNT/RGO/Fe3O4 negative electrode material for assembly of flexible asymmetric supercapacitors.

Si/SiO2 Composite Negative Electrode Material for Lithium Ion Batteries

2014 ◽  
Vol 809-810 ◽  
pp. 781-786
Author(s):  
Min Liu ◽  
Na Zhang ◽  
Feng Hui Zhao ◽  
Xiao Qin Zhao ◽  
Ke Chen ◽  
...  
Keyword(s):  
Electrochemical Performance ◽  
Lithium Ion Batteries ◽  
Anode Material ◽  
Specific Capacity ◽  
High Capacity ◽  
Negative Electrode ◽  
Lithium Ion ◽  
High Energy ◽  
X Ray Diffraction ◽  
Ball Milling Technique

As lithium-ion battery anode materials, silicon has the highest specific capacity. In order to restrain pure silicon’s serious volume change and enhance its electrochemical performance, Si/SiO2 composites were prepared by using a convenient high energy ball-milling technique. The characteristics of the composites as anode material for rechargeable lithium-ion batteries were investigated by X-ray diffraction and scanning electron microscopy methods. The electrochemical performance of the anode material was studied, and it was found the composite anode had a high capacity of 1333 mAhg-1 in the first cycle and 400 mAhg-1 could still be obtained after 46 cycles. Such prepared materials displayed improved cycle life.

Potassium-ion intercalation in graphite within a potassium-ion battery examined usingin situX-ray diffraction

2017 ◽  
Vol 32 (S2) ◽  
pp. S43-S48 ◽  
Author(s):  
James C. Pramudita ◽  
Vanessa K. Peterson ◽  
Justin A. Kimpton ◽  
Neeraj Sharma
Keyword(s):  
Negative Electrode ◽  
Lithium Ion ◽  
Potassium Ion ◽  
Electrochemical Cells ◽  
X Ray Diffraction ◽  
X Ray ◽  
Graphite Intercalation ◽  
Ion Intercalation ◽  
Negative Electrode Material

Graphite has been widely used as a negative electrode material in lithium-ion batteries, and recently it has attracted attention for its use in potassium-ion batteries. In this study, the firstin situX-ray diffraction characterisation of a K/graphite electrochemical cell is performed. Various graphite intercalation compounds are found, including the stage three KC36and stage one KC8compounds,along with the disappearance of the graphite during the potassiation process. These results show new insights on the non-equilibrium states of potassium-ion intercalation into graphite in K/graphite electrochemical cells.

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