Characterization and Average, Local and Erectronic Structures By Charge-Discharge Cycle in 0.6Li2MnO3-0.4Li(Co1/3Ni1/3Mn1/3)O2 Solid Solution of a Cathode Active Material for Li Ion Battery

Batteries ◽  
2019 ◽  
Vol 5 (3) ◽  
pp. 54 ◽  
Author(s):  
Yoichi Takagishi ◽  
Takumi Yamanaka ◽  
Tatsuya Yamaue

We have proposed a data-driven approach for designing the mesoscale porous structures of Li-ion battery electrodes, using three-dimensional virtual structures and machine learning techniques. Over 2000 artificial 3D structures, assuming a positive electrode composed of randomly packed spheres as the active material particles, are generated, and the charge/discharge specific resistance has been evaluated using a simplified physico-chemical model. The specific resistance from Li diffusion in the active material particles (diffusion resistance), the transfer specific resistance of Li+ in the electrolyte (electrolyte resistance), and the reaction resistance on the interface between the active material and electrolyte are simulated, based on the mass balance of Li, Ohm’s law, and the linearized Butler–Volmer equation, respectively. Using these simulation results, regression models, using an artificial neural network (ANN), have been created in order to predict the charge/discharge specific resistance from porous structure features. In this study, porosity, active material particle size and volume fraction, pressure in the compaction process, electrolyte conductivity, and binder/additives volume fraction are adopted, as features associated with controllable process parameters for manufacturing the battery electrode. As a result, the predicted electrode specific resistance by the ANN regression model is in good agreement with the simulated values. Furthermore, sensitivity analyses and an optimization of the process parameters have been carried out. Although the proposed approach is based only on the simulation results, it could serve as a reference for the determination of process parameters in battery electrode manufacturing.


Author(s):  
Yoichi Takagishi ◽  
Takumi Yamanaka ◽  
Tatsuya Yamaue

We have proposed a data-driven approach for designing mesoscale porous structures of Li-ion battery electrode with three-dimensional virtual structures and machine learning techniques. Over 2,000 artificial 3D structures assuming positive electrode composed of random packed spheres as active material particles are generated, and charge/discharge resistance has been evaluated using simplified Physico-chemical model. In this model, resistance from Li diffusion in active material particles (diffusion resistance), transfer resistance of Li+ in electrolyte (electrolyte resistance) and reaction resistance on the interface between active material and electrolyte are simulated based on mass balance of Li, Ohm’s law in and linearized Butler-Volmer equation, respectively. Using these simulation results, regression models via Artificial Neural Network (ANN) have been created in order to predict charge/discharge resistance from porous structure features. In this study, porosity, active material particle size and volume fraction, pressure in the compaction process, electrolyte conductivity, and binder volume fraction are adopted as features, associated with controllable process parameters for manufacturing battery electrode. As results, the predicted electrode resistance by ANN regression model is good agreement with the simulated values. Furthermore, sensitivity analysis and optimization of the process parameters have been carried out. The proposed data-driven approach could be a solution as a guiding principle for manufacturing battery electrode.


RSC Advances ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 1715-1728
Author(s):  
Fumihiro Nomura ◽  
Tatsuya Watanabe ◽  
Hiroya Ochiai ◽  
Takao Gunji ◽  
Takeshi Hagiwara ◽  
...  

The difference in discharge capacity = (discharge capacity of the LLO sample prepared by quenched cooling) − (discharge capacity of the LLO sample prepared by slow cooling). The difference in discharge capacity: > 10 mA h g−1, −10 mA h g−1 < <10 mA h g−1, < −10 mA h g−1.


2021 ◽  
Vol 896 ◽  
pp. 53-59
Author(s):  
Yi Yang Shen

The development of next generation Li ion battery has attracted many attentions of researchers due to the rapidly increasing demands to portable energy storage devices. General Li metal/alloy anodes are confronted with challenges of dendritic crystal formation and slow charge/discharge rate. Recently, the prosperity of two-dimensional materials opens a new window for the design of battery anode. In the present study, MoS2/graphene heterostructure is investigate for the anode application of Li ion battery using first-principles calculations. The Li binding energy, open-circuit voltage, and electronic band structures are acquired for various Li concentrations. We found the open-circuit voltage decreases from ~2.28 to ~0.4 V for concentration from 0 to 1. Density of states show the electrical conductivity of the intercalated heterostructures can be significantly enhanced. The charge density differences are used to explain the variations of voltage and density of states. Last, ~0.43 eV diffusion energy barrier of Li implies the possible fast charge/discharge rate. Our study indicate MoS2/graphene heterostructure is promising material as Li ion battery anode.


Energies ◽  
2020 ◽  
Vol 13 (23) ◽  
pp. 6216
Author(s):  
Hamideh Darjazi ◽  
Antunes Staffolani ◽  
Leonardo Sbrascini ◽  
Luca Bottoni ◽  
Roberto Tossici ◽  
...  

The reuse and recycling of products, leading to the utilization of wastes as key resources in a closed loop, is a great opportunity for the market in terms of added value and reduced environmental impact. In this context, producing carbonaceous anode materials starting from raw materials derived from food waste appears to be a possible approach to enhance the overall sustainability of the energy storage value chain, including Li-ion (LIBs) and Na-ion batteries (NIBs). In this framework, we show the behavior of anodes for LIBs and NIBs prepared with coffee ground-derived hard carbon as active material, combined with green binders such as Na-carboxymethyl cellulose (CMC), alginate (Alg), or polyacrylic acid (PAA). In order to evaluate the effect of the various binders on the charge/discharge performance, structural and electrochemical investigations are carried out. The electrochemical characterization reveals that the alginate-based anode, used for NIBs, delivers much enhanced charge/discharge performance and capacity retention. On the other hand, the use of the CMC-based electrode as LIBs anode delivers the best performance in terms of discharge capacity, while the PAA-based electrode shows enhanced cycling stability. As a result, the utilization of anode materials derived from an abundant food waste, in synergy with the use of green binders and formulations, appears to be a viable opportunity for the development of efficient and sustainable Li-ion and Na-ion batteries.


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