scholarly journals First-principles analysis on role of spinel (111) phase boundaries in Li4+3xTi5O12 Li-ion battery anodes

2016 ◽  
Vol 18 (33) ◽  
pp. 23383-23388 ◽  
Author(s):  
Yoshinori Tanaka ◽  
Minoru Ikeda ◽  
Masato Sumita ◽  
Takahisa Ohno ◽  
Kazunori Takada
Keyword(s):  
Phase Separation ◽  
Anode Material ◽  
First Principles ◽  
Li Ion Battery ◽  
Phase Boundaries ◽  
Two Phase ◽  
Li Ion

The practical anode material Li4+3xTi5O12 is known to undergo a two-phase separation into Li7Ti5O12 and Li4Ti5O12 during charging/discharging.

scholarly journals Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles

2013 ◽  
Vol 1542 ◽  
Author(s):  
Yi Zeng ◽  
Martin Z. Bazant
Keyword(s):  
Phase Separation ◽  
Lithium Iron Phosphate ◽  
Chemical Potential ◽  
Iron Phosphate ◽  
Reaction Model ◽  
Li Ion Battery ◽  
Two Phase ◽  
Basic Physics ◽  
Shrinking Core ◽  
Li Ion

ABSTRACTUsing the recently developed Cahn-Hilliard reaction (CHR) theory, we present a simple mathematical model of the transition from solid-solution radial diffusion to two-phase shrinking-core dynamics during ion intercalation in a spherical solid particle. This general approach extends previous Li-ion battery models, which either neglect phase separation or postulate a spherical shrinking-core phase boundary under all conditions, by predicting phase separation only under appropriate circumstances. The effect of the applied current is captured by generalized Butler-Volmer kinetics, formulated in terms of the diffusional chemical potential in the CHR theory. We also consider the effect of surface wetting or de-wetting by intercalated ions, which can lead to shrinking core phenomena with three distinct phase regions. The basic physics are illustrated by different cases, including a simple model of lithium iron phosphate (neglecting crystal anisotropy and coherency strain).

Enhancing Co/Co2VO4 Li-ion Battery Anode Performances via 2D-2D Heterostructure Engineering

Nanoscale ◽  
2021 ◽  
Author(s):  
Kun Wang ◽  
Yongyuan Hu ◽  
Jian Pei ◽  
Fengyang Jing ◽  
Zhongzheng Qin ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Anode Material ◽  
Output Voltage ◽  
High Capacity ◽  
Lithium Ion ◽  
Li Ion Battery ◽  
Li Ion ◽  
Battery Anode

High capacity Co2VO4 becomes a potential anode material for lithium ion batteries (LIBs) benefiting from its lower output voltage during cycling than other cobalt vanadates. However, the application of this...

Fe-F Co-doped NaTi2(PO4)3/C Anode Material for High performance and Long-life Aqueous Li-ion Battery

2021 ◽  
pp. 161007
Author(s):  
Xin Zhang ◽  
Haixin Chen ◽  
Hui Chen ◽  
Senlin Li ◽  
Yurong Zhang ◽  
...  
Keyword(s):  
Anode Material ◽  
High Performance ◽  
Li Ion Battery ◽  
Li Ion ◽  
Long Life ◽  
Co Doped

Low temperature solvothermal synthesis of nanosized NiSb as a Li-ion battery anode material

2007 ◽  
Vol 441 (1-2) ◽  
pp. 231-235 ◽  
Author(s):  
J. Xie ◽  
X.B. Zhao ◽  
H.M. Yu ◽  
H. Qi ◽  
G.S. Cao ◽  
...  
Keyword(s):  
Low Temperature ◽  
Anode Material ◽  
Solvothermal Synthesis ◽  
Li Ion Battery ◽  
Li Ion ◽  
Battery Anode

MoS2/Graphene Heterostructure Anode for Li-Ion Battery Application: A First-Principles Study

2021 ◽  
Vol 896 ◽  
pp. 53-59
Author(s):  
Yi Yang Shen
Keyword(s):  
Density Of States ◽  
First Principles ◽  
Open Circuit Voltage ◽  
Discharge Rate ◽  
Open Circuit ◽  
Crystal Formation ◽  
Li Ion Battery ◽  
Li Ion ◽  
Battery Anode ◽  
Charge Discharge

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.

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