Amorphous phosphorus-carbon nanotube hybrid anode with ultralong cycle life and high-rate capability for lithium-ion batteries

Jiao, Xingxing; Liu, Yangyang; Li, Bing; Zhang, Wenxue; He, Cheng; Zhang, Chaofan; Yu, Zhaoxin; Gao, Tieyu; Song, Jiangxuan

doi:10.1016/j.carbon.2019.03.053

Cited by 73 publications

(42 citation statements)

References 53 publications

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“…[24] This GAP is now set to facilitate even more challenging studies on more extended length or time scales, and the exploration of other structurally complex phases for which it has not been explicitly "trained", such as amorphous phosphorus (a-P).Research interest in a-P has grown because of emerging applications in batteries. [25][26][27][28] As a commercially available anode material, red phosphorus provides a large cation-storage ability with high theoretical capacities by forming binary X-P compounds (X = Li, Na, K), but it suffers from low conductivity and a large volumetric change during cycling. [29] As discussed in ref.…”

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confidence: 99%

Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure

2021

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such as "ab initio" molecular dynamics (AIMD). ML-based interatomic potentials, therefore, are beginning to be applied to a range of challenging materials-science research questions, such as the modeling of phase-change memory materials, [12][13][14] catalysts, [15] or battery materials. [16] Recently, a number of "general-purpose" ML potentials have been reported, which can accurately describe a broad range of atomic configurations and materials properties-including silicon, [17] carbon, [18] aluminum, [19,20] and the binary Ga-As system. [21] The hope for such potentials is to enable "off-the-shelf" use without further modification: for example, the aforementioned silicon ML potential has been used to study complex structural transitions under pressure [22] or unusual mechanical properties of amorphous silicon (a-Si). [23] The starting point for the present study is a general-purpose Gaussian approximation potential (GAP) ML model for bulk and nanostructured phosphorus-which was shown to be flexible enough to be applicable to the pressure-induced liquidliquid phase transition from the molecular fluid to the network liquid, whilst also accurately describing the crystalline allotropes and the layered structure of phosphorene. [24] This GAP is now set to facilitate even more challenging studies on more extended length or time scales, and the exploration of other structurally complex phases for which it has not been explicitly "trained", such as amorphous phosphorus (a-P).Research interest in a-P has grown because of emerging applications in batteries. [25][26][27][28] As a commercially available anode material, red phosphorus provides a large cation-storage ability with high theoretical capacities by forming binary X-P compounds (X = Li, Na, K), but it suffers from low conductivity and a large volumetric change during cycling. [29] As discussed in ref. [30], these issues can be ameliorated by creating composites of a-P and carbonaceous materials: on the one hand, increasing electronic conductivity; [31,32] on the other hand, minimizing the mechanical stress induced by volume changes. [30,33] The structure and properties of phosphorus itself are clearly important for battery applications: for example, experimental work showed that the size of a-P particles in phosphoruscarbon composite anodes has an effect on the electrochemical performance, [34] and in situ transmission electron microscopy (TEM) revealed images of red phosphorus segments within a carbon nanofiber. [35] Computationally, structurally ordered phases have been studied with density-functional theory (DFT; Amorphous phosphorus (a-P) has long attracted interest because of its complex atomic structure, and more recently as an anode material for batteries. However, accurately describing and understanding a-P at the atomistic level remains a challenge. Here, it is shown that large-scale molecular-dynamics simulations, enabled by a machine-learning (ML)-based interatomic potential for phosphorus, can give new insights into the atomic structure of a-P and how...

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Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure

2021

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“…In the first circle, the electrolyte additive fluoroethylene carbonate (FEC) decomposition occurs on the electrode surface to form the SEI layer and forms Li x P (x ¼ 1-3) phase at %0.46 V. [25,27,47] After the first cycle, the Li x P (x ¼ 1-3) formation cathodic peak position moves to %0.7 V, which is consistent with other literature reports. [27,43] During the oxidation process, the lithium-phosphorus alloy undergoes delithiation reaction at 0.9-1.3 V. Figure 4b displays typical charge/discharge curves of the RPN/rGF composite materials. The charging and discharging curve of the first cycle is different from the following cycles because the generation of SEI corresponds to the CV test.…”

Section: Resultsmentioning

confidence: 99%

“…[22] The engineering of new nanostructures and nanocomposites has been shown to be a successful method to solve the poor electronic conductivity and volume change of red phosphorus. [40][41][42] Until now, many studies have reported red phosphorus composite materials, such as P/C composites, [25,33] P/reduced graphene oxide (rGO) composites, [17,20] carbon/red phosphorus/graphene aerogel (C@P/GA) composites, [21] and red phosphorus/carbon nanotubes (P/CNT) composites, [43] to solve these issues. However, the volume expansion of these composite materials during charging and discharging is still a challenge.…”

Section: Introductionmentioning

confidence: 99%

Superassembled Red Phosphorus Nanorod–Reduced Graphene Oxide Microflowers as High‐Performance Lithium‐Ion Battery Anodes

et al. 2021

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Lithium‐ion battery (LIB) anodes using red phosphorus materials are promising with the advantages of high capacity, low price, and abundant reserves. However, the huge volume expansion (≈300%) of red phosphorus during the charge and discharge process significantly limits their application. Herein, superassembled red phosphorus nanorod/reduced graphene oxide microflower (RPN/rGF) composites are reported. The RPNs can accommodate huge volume expansion, shorten lithium‐ion transmission distances, and provide more conductive contacts, and the rGF serves as an electron pathway and buffers the RPN volume expansion. Experimental and finite element simulations prove the fixation of PC bonds in the RPN/rGF composite, thereby demonstrating a high capacity (1760 mA h g−1 at 0.3 C), remarkable rate capability (1073 mA h g−1 at 3 C), and great cyclability (1380 mA h g−1 at 0.3 C over 300 cycle). This work could shed light on the future development of red phosphorus composite materials for commercially viable lithium‐ion batteries.

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“…Subsequently, a full cell based on such phosphorus-carbon composites against the LiNi 1/3 Co 1/3 Mn 1/3 O 2 cathode was designed and it delivered an initial charge capacity of 1135 mAh/g (based on P-KB) with an initial Coulombic efficiency of 65.6%. Such P-O-C chemical bond could also be formed between phosphorus and carbon nanotubes (CNTs) via a ball-milling process [69], contributing to close and robust contact between phosphorus and CNTs, thus improving the electrical conductivity.…”

Section: D Black Phosphorus and 0d Carbonmentioning

confidence: 99%

A Review on Applications of Layered Phosphorus in Energy Storage

Cheng

Wang

Sun

et al. 2020

Trans. Tianjin Univ.

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Phosphorus in energy storage has received widespread attention in recent years. Both the high specific capacity and ion mobility of phosphorus may lead to a breakthrough in energy storage materials. Black phosphorus, an allotrope of phosphorus, has a sheet-like structure similar to graphite. In this review, we describe the structure and properties of black phosphorus and characteristics of the conductive electrode material, including theoretical calculation and analysis. The research progress in various ion batteries, including lithium-sulfur batteries, lithium–air batteries, and supercapacitors, is summarized according to the introduction of black phosphorus materials in different electrochemical applications. Among them, with the introduction of black phosphorus in lithium-ion batteries and sodium-ion batteries, the research on the properties of black phosphorus and carbon composite is introduced. Based on the summary, the future development trend and potential of black phosphorus materials in the field of electrochemistry are analyzed.

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Amorphous phosphorus-carbon nanotube hybrid anode with ultralong cycle life and high-rate capability for lithium-ion batteries

Cited by 73 publications

References 53 publications

Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure

Cluster Fragments in Amorphous Phosphorus and their Evolution under Pressure

Superassembled Red Phosphorus Nanorod–Reduced Graphene Oxide Microflowers as High‐Performance Lithium‐Ion Battery Anodes

A Review on Applications of Layered Phosphorus in Energy Storage

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