Lithiation/delithiation of silicon heavily doped with boron synthesized using the Czochralski process

Shimizu, Masahiro; Kimoto, Kohei; Kikuchi, Ayaka; Taishi, Toshinori; Arai, Shigeo

doi:10.1039/d3ya00021d

Cited by 3 publications

(2 citation statements)

References 49 publications

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“…The HR-TEM image (Figure c) shows the interplanar distances of N–Si-0.5 at three different locations. The results indicate that the interplanar distances of the Si(111) plane measure 0.3046, 0.3053, and 0.3062 nm, respectively, which are smaller than the common value of 0.31 nm. , This is due to lattice contraction induced by the substitution of the Si atom (111 pm) with the much smaller N atom (75 pm) . The selected area electron diffraction (SAED) pattern of N–Si-0.5 (Figure S2) exhibits distinctive diffraction rings of the cubic Si phase, showing that the as-prepared materials have a high crystallinity.…”

Section: Resultsmentioning

confidence: 92%

“…Heteroatom doping is an effective method for directly improving the conductivity of silicon, such as boron, , phosphorus, , and sulfur. , Boron is a p-type dopant, and the main charge carrier is a hole, which has relative poor electrochemical performance compared to n-type dopants. , However, phosphorus and sulfur are hazardous not only to human health but also to the environment. Nitrogen is an n-type dopant that is safe for both humans and the environment.…”

Section: Introductionmentioning

confidence: 99%

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Highly Conductive Ultrafine N-Doped Silicon Powders Prepared by High-Frequency Thermal Plasma and Their Application as Anodes for Lithium-Ion Batteries

Dong,

Liu,

et al. 2023

ACS Appl. Electron. Mater.

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Silicon materials are widely regarded as highly promising candidate anodes for the next generation of lithium-ion batteries. However, the violent volume expansion and low intrinsic conductivity hinder their practical application. In this study, ultrafine N-doped silicon powders (N-doped Si) were prepared by using high-frequency thermal plasma (HF-plasma) technology, in which nanocrystallization and N doping were conducted in a single step without the formation of the Si 3 N 4 phase. Through characterization of X-ray photoelectron spectroscopy, X-ray diffraction, and Raman analysis, it is ascertained that N is doped in silicon after HF-plasma treatment. According to the UV−vis and conductivity tests, N-doped Si has a notably narrower bandgap and a higher conductivity than those of undoped Si. N-doped Si with a submicrosphere (N−Si-0.5) delivered a reversible capacity of 974.1 mA h g −1 at 0.2 A g −1 after 50 cycles and an initial Coulombic efficiency (ICE) of 88.72%. Even at 6 A g −1 , N−Si-0.5 can still exhibit a high reversible capacity of 200.5 mA h g −1 , while Si without doping (N−Si-0.0) only gives a reversible capacity of 526.8 mA h g −1 at 0.2 A g −1 after 50 cycles with an ICE of 85.81% and an unnoticeable capacity at 6 A g −1 . It is clear that Si shows higher ICE, better cycle stability, and rate performance. For further enhancement of the electrochemical performances of N-doped Si, the Si nanowires (NW-Si) were prepared. Experimental results showed that the initial capacity, ICE, and rate performance all gradually improved as the N 2 flow rate increased. NW-Si-1.0 has an initial capacity of 2725.7 mA h g −1 and an ICE of 80.18%. Even at 6 A g −1 , it can provide a reversible capacity of 584.7 mA h g −1 . The enhanced electrochemical performances of N-doped Si can be ascribed to the introduction of the N dopant and nanowire, which raised carrier concentration, accelerated electron transfer, and alleviated volume expansion.

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Section: Resultsmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 99%

Highly Conductive Ultrafine N-Doped Silicon Powders Prepared by High-Frequency Thermal Plasma and Their Application as Anodes for Lithium-Ion Batteries

Dong,

Liu,

et al. 2023

ACS Appl. Electron. Mater.

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First-principles study of interstitial Li effects on the electronic, structural and diffusion properties of highly boron-doped porous silicon

González,

Nava,

Cruz-Irisson

et al. 2024

Journal of Energy Storage

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The effect of chemical doping on the lithiation processes of the crystalline Si anode ‒ A first-principles study

Chiang,

Pan,

Kuo

2024

The Journal of Chemical Physics

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We employed first-principles calculations to investigate the effect of chemical doping on the lithiation kinetics and dynamic properties of the c–Si anode. Our ab initio molecular dynamics simulations reveal that phosphorous/arsenic doping can greatly enhance the lithiation kinetics of c–Si, whereas boron doping is unable to produce such an improvement. Our calculations also show that boron doping could enhance Li insertion into c–Si, but phosphorous/arsenic doping tends to increase the insertion energy of Li ions. Although the migration energy barriers of Li ions may slightly increase (decrease) in the boron-(phosphorus-/arsenic-)doped c–Si, these changes were only effective within the range of the nearest-neighbor distance from dopants. Furthermore, it was found that the phosphorus-/arsenic-doped Si can be more ductile and can more easily undergo plastic deformation upon lithiation, while the c–Si matrix becomes more brittle and stiffer when doped with boron. Our simulation results also demonstrate that phosphorous- and arsenic-doping can effectively speed up the Li-induced structural amorphization of c–Si while boron doping appears to severely slow it down. These findings unambiguously indicate that the induced mechanical softening of the c–Si bond network can be the primary factor that leads to the enhanced lithiation kinetics in the n-type doped c–Si anodes.

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Lithiation/delithiation of silicon heavily doped with boron synthesized using the Czochralski process

Abstract: The effects of B doping and its impurity concentration (1600, 4700, 12400 ppm) on the electrochemical lithiation/delithiation of Si, which has the potential to replace graphite currently used as a...

Cited by 3 publications

References 49 publications

Highly Conductive Ultrafine N-Doped Silicon Powders Prepared by High-Frequency Thermal Plasma and Their Application as Anodes for Lithium-Ion Batteries

Highly Conductive Ultrafine N-Doped Silicon Powders Prepared by High-Frequency Thermal Plasma and Their Application as Anodes for Lithium-Ion Batteries

First-principles study of interstitial Li effects on the electronic, structural and diffusion properties of highly boron-doped porous silicon

The effect of chemical doping on the lithiation processes of the crystalline Si anode ‒ A first-principles study

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