Atomic mechanism of the distribution and diffusion of lithium in a cracked Si anode

Wang, Chaoying; Zhang, Chao; Xue, Qianli; Li, Chenliang; Miao, Jiaqi; Ren, Pengfei; Yang, Lijun; Yang, Zailin

doi:10.1016/j.scriptamat.2021.113807

Cited by 6 publications

(3 citation statements)

References 46 publications

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“…Molecules 2023, 28, x FOR PEER REVIEW 4 of 12 specific surface areas of Si@G-5 and Si@G-10 are comparable, and the less graphene content cannot change the silicon arrangement. In addition, the pore diameter distribution curves (Figure 3b) show that the pore diameter is mainly around 5 nm, which is favorable for the migration of Li + to Si@G inside the composites [29]. To characterize the morphology of the Si@G composites, SEM was performed.…”

Section: Structure and Morphology Analysismentioning

confidence: 99%

High-Performance Dual-Ion Battery Based on Silicon–Graphene Composite Anode and Expanded Graphite Cathode

Guoshun

Liu

et al. 2023

Molecules

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Dual-ion batteries (DIBs) are a new kind of energy storage device that store energy involving the intercalation of both anions and cations on the cathode and anode simultaneously. They feature high output voltage, low cost, and good safety. Graphite was usually used as the cathode electrode because it could accommodate the intercalation of anions (i.e., PF6−, BF4−, ClO4−) at high cut-off voltages (up to 5.2 V vs. Li+/Li). The alloying-type anode of Si can react with cations and boost an extreme theoretic storage capacity of 4200 mAh g−1. Therefore, it is an efficient method to improve the energy density of DIBs by combining graphite cathodes with high-capacity silicon anodes. However, the huge volume expansion and poor electrical conductivity of Si hinders its practical application. Up to now, there have been only a few reports about exploring Si as an anode in DIBs. Herein, we prepared a strongly coupled silicon and graphene composite (Si@G) anode through in-situ electrostatic self-assembly and a post-annealing reduction process and investigated it as an anode in full DIBs together with home-made expanded graphite (EG) as a fast kinetic cathode. Half-cell tests showed that the as-prepared Si@G anode could retain a maximum specific capacity of 1182.4 mAh g−1 after 100 cycles, whereas the bare Si anode only maintained 435.8 mAh g−1. Moreover, the full Si@G//EG DIBs achieved a high energy density of 367.84 Wh kg−1 at a power density of 855.43 W kg−1. The impressed electrochemical performances could be ascribed to the controlled volume expansion and improved conductivity as well as matched kinetics between the anode and cathode. Thus, this work offers a promising exploration for high energy DIBs.

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Section: Structure and Morphology Analysismentioning

confidence: 99%

High-Performance Dual-Ion Battery Based on Silicon–Graphene Composite Anode and Expanded Graphite Cathode

Guoshun

Liu

et al. 2023

Molecules

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“…51,52 This multiscale approach was recently used to investigate how cracks affect the distribution and diffusion behavior of lithium in silicon anodes. 53 As shown in Fig. 1, a region composed of several layers of B-atoms near the boundary is introduced between the QM and MM regions.…”

Section: Calculation Detailsmentioning

confidence: 99%

Multi-scale simulation of proton diffusion in dislocation cores in BaZrO₃

Yue

Zhao

Sun

et al. 2022

Phys. Chem. Chem. Phys.

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“…At room temperature, the specific capacity of silicon is much larger than that of graphite (372 mAh g –1 ) for 4200 mAh g –1 , and silicon is abundantly available. However, several issues prevent Si from being widely used in anodes . For example, the silicon surface produces a solid electrolyte interface (SEI) layer during charging and discharging, which leads to a shortened cycle life, most notably due to the relatively large volume expansion of the silicon electrodes (up to 300%) and even pulverization when embedded with lithium ions, as well as the relatively low electrical conductivity of silicon, Together, these factors contribute to the dramatic drop in battery capacity in the presence of poor cycling.…”

Section: Introductionmentioning

confidence: 99%

Seaweed─Modification of Si by Natural Nitrogen-Doped Porous Biochar for High-Efficiency Lithium Batteries

Sang,

Sun,

Pan

et al. 2024

ACS Appl. Mater. Interfaces

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Due to the porous structure and high electrical conductivity of carbon materials, lithium-ion batteries (LIBs) frequently employ carbon cladding to modify silicon anodes. However, the high cost and convoluted manufacturing process have prevented widespread use of carbon-based materials. Due to the abundance of seaweed (Gelidium amansii: GAm), there is a developing interest in seaweed's additional uses. We present, for the first time in lithium-ion batteries, the modification of silicon anodes by algal biomass carbon, which was thoroughly analyzed morphologically, structurally, and electrochemically. Seaweed's biomass carbon is porous and highly linked, making it ideal for evenly enclosing silicon nanoparticles and supplying the porous carbon skeleton with sufficient nitrogen after annealing. The Si@ self-encapsulated naturally nitrogen-doped biochar prepared from seaweed composites displayed reversible capacities of 1111.61 mAh g −1 after 500 cycles at a high current of 1 A g −1 and 714.08 mAh g −1 after 1000 cycles at the same current density.

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Atomic mechanism of the distribution and diffusion of lithium in a cracked Si anode

Cited by 6 publications

References 46 publications

High-Performance Dual-Ion Battery Based on Silicon–Graphene Composite Anode and Expanded Graphite Cathode

High-Performance Dual-Ion Battery Based on Silicon–Graphene Composite Anode and Expanded Graphite Cathode

Multi-scale simulation of proton diffusion in dislocation cores in BaZrO₃

Seaweed─Modification of Si by Natural Nitrogen-Doped Porous Biochar for High-Efficiency Lithium Batteries

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Atomic mechanism of the distribution and diffusion of lithium in a cracked Si anode

Cited by 6 publications

References 46 publications

High-Performance Dual-Ion Battery Based on Silicon–Graphene Composite Anode and Expanded Graphite Cathode

High-Performance Dual-Ion Battery Based on Silicon–Graphene Composite Anode and Expanded Graphite Cathode

Multi-scale simulation of proton diffusion in dislocation cores in BaZrO3

Seaweed─Modification of Si by Natural Nitrogen-Doped Porous Biochar for High-Efficiency Lithium Batteries

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Multi-scale simulation of proton diffusion in dislocation cores in BaZrO₃