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Sulfur-Doped Graphdiyne as a High-Capacity Anode Material for Lithium-Ion Batteries.

ABSTRACT: Heteroatom doping is regarded as a promising approach to enhance the electrochemical performance of carbon materials, while the poor controllability of heteroatoms remains the main challenge. In this context, sulfur-doped graphdiyne (S-GDY) was successfully synthesized on the surface of copper foil using a sulfur-containing multi-acetylene monomer to form a uniform film. The S-GDY film possesses a porous structure and abundant sulfur atoms decorated homogeneously in the carbon skeleton, which facilitate the fast diffusion and storage of lithium ions. The lithium-ion batteries (LIBs) fabricated with S-GDY as anode exhibit excellent performance, including the high specific capacity of 920 mA h g^-1 and superior rate performances. The LIBs also show long-term cycling stability under the high current density. This result could potentially provide a modular design principle for the construction of high-performance anode materials for lithium-ion batteries.

SUBMITTER: Kong F

PROVIDER: S-EPMC8145426 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Investigation of Boron-Doped Graphdiyne as a Promising Anode Material for Sodium-Ion Batteries: A Computational Study.

Project description:In this work, by density functional theory (DFT) calculations, sp-sp2-hybridized boron-doped graphdiyne (BGDY) nanosheets have been investigated as an anode material for sodium storage. The density of states (DOS) and band structure plots show that substituting a boron atom with a carbon atom in an 18-atom unit cell converts the semiconductor pristine graphdiyne (GDY) to metallic BGDY. Also, our calculations indicate that, due to the presence of boron atoms, the adsorption energy of BGDY is more than that of GDY. The diffusion energy barrier calculations show that the boron atom in BGDY creates a more suitable path with a low energy barrier for sodium movement. This parameter is important in the rate of charge/discharge process. On the other hand, the projected density of states (PDOS) plots show that sodium is ionized when adsorbed on the electrode surface and so Na-BGDY interaction has an electrostatic character. This type of interaction is necessary for the reversibility of adsorption in the discharge mechanism. Finally, the calculation of the theoretical capacity shows an increase in BGDY (872.68 mAh g-1) in comparison with that in GDY (744 mAh g-1). Thus, from comparison of different evaluated parameters, it can be concluded that BGDY is a suitable anode material for sodium-ion batteries.

| S-EPMC7203954 | biostudies-literature

Sulfur-Doped Carbon with Enlarged Interlayer Distance as a High-Performance Anode Material for Sodium-Ion Batteries.

Project description:S-doped carbon is investigated as a high-performance anode material for sodium-ion batteries. Due to the introduction of a high-content of S atoms, the as-obtained S-doped carbon shows an enlarged interlayer distance. As an anode, a high specific capacity of up to 303 mAh g-1 is achieved, even after 700 cycles at 0.5 A g-1.

| S-EPMC5049484 | biostudies-literature

A novel graphene-polysulfide anode material for high-performance lithium-ion batteries.

Project description:We report a simple and efficient approach for fabrication of novel graphene-polysulfide (GPS) anode materials, which consists of conducting graphene network and homogeneously distributed polysulfide in between and chemically bonded with graphene sheets. Such unique architecture not only possesses fast electron transport channels, shortens the Li-ion diffusion length but also provides very efficient Li-ion reservoirs. As a consequence, the GPS materials exhibit an ultrahigh reversible capacity, excellent rate capability and superior long-term cycling performance in terms of 1600, 550, 380 mAh g(-1) after 500, 1300, 1900 cycles with a rate of 1, 5 and 10 A g(-1) respectively. This novel and simple strategy is believed to work broadly for other carbon-based materials. Additionally, the competitive cost and low environment impact may promise such materials and technique a promising future for the development of high-performance energy storage devices for diverse applications.

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Defective Ti2Nb10O27.1: an advanced anode material for lithium-ion batteries.

Project description:To explore anode materials with large capacities and high rate performances for the lithium-ion batteries of electric vehicles, defective Ti2Nb10O27.1 has been prepared through a facile solid-state reaction in argon. X-ray diffractions combined with Rietveld refinements indicate that Ti2Nb10O27.1 has the same crystal structure with stoichiometric Ti2Nb10O29 (Wadsley-Roth shear structure with A2/m space group) but larger lattice parameters and 6.6% O(2-) vacancies (vs. all O(2-) ions). The electronic conductivity and Li(+)ion diffusion coefficient of Ti2Nb10O27.1 are at least six orders of magnitude and ~2.5 times larger than those of Ti2Nb10O29, respectively. First-principles calculations reveal that the significantly enhanced electronic conductivity is attributed to the formation of impurity bands in Ti2Nb10O29-x and its conductor characteristic. As a result of the improvements in the electronic and ionic conductivities, Ti2Nb10O27.1 exhibits not only a large initial discharge capacity of 329 mAh g(-1) and charge capacity of 286 mAh g(-1) at 0.1 C but also an outstanding rate performance and cyclability. At 5 C, its charge capacity remains 180 mAh g(-1) with large capacity retention of 91.0% after 100 cycles, whereas those of Ti2Nb10O29 are only 90 mAh g(-1) and 74.7%.

| S-EPMC4668578 | biostudies-literature

Heterostructured SnO2-SnS2@C Embedded in Nitrogen-Doped Graphene as a Robust Anode Material for Lithium-Ion Batteries.

Project description:Tin-based anode materials with high capacity attract wide attention of researchers and become a strong competitor for the next generation of lithium-ion battery anode materials. However, the poor electrical conductivity and severe volume expansion retard the commercialization of tin-based anode materials. Here, SnO2-SnS2@C nanoparticles with heterostructure embedded in a carbon matrix of nitrogen-doped graphene (SnO2-SnS2@C/NG) is ingeniously designed in this work. The composite was synthesized by a two-step method. Firstly, the SnO2@C/rGO with a nano-layer structure was synthesized by hydrothermal method as the precursor, and then the SnO2-SnS2@C/NG composite was obtained by further vulcanizing the above precursor. It should be noted that a carbon matrix with nitrogen-doped graphene can inhibit the volume expansion of SnO2-SnS2 nanoparticles and promote the transport of lithium ions during continuous cycling. Benefiting from the synergistic effect between nanoparticles and carbon matrix with nitrogen-doped graphene, the heterostructured SnO2-SnS2@C/NG further fundamentally confer improved structural stability and reaction kinetics for lithium storage. As expected, the SnO2-SnS2@C/NG composite exhibited high reversible capacity (1201.2 mA h g-1 at the current rate of 0.1 A g-1), superior rate capability and exceptional long-life stability (944.3 mAh g-1 after 950 cycles at the current rate of 1.0 A g-1). The results demonstrate that the SnO2-SnS2@C/NG composite is a highly competitive anode material for LIBs.

| S-EPMC6527815 | biostudies-literature

Superior cycle performance and high reversible capacity of SnO2/graphene composite as an anode material for lithium-ion batteries.

Project description:SnO2/graphene composite with superior cycle performance and high reversible capacity was prepared by a one-step microwave-hydrothermal method using a microwave reaction system. The SnO2/graphene composite was characterized by X-ray diffraction, thermogravimetric analysis, Fourier-transform infrared spectroscopy, Raman spectroscopy, scanning electron microscope, X-ray photoelectron spectroscopy, transmission electron microscopy and high resolution transmission electron microscopy. The size of SnO2 grains deposited on graphene sheets is less than 3.5 nm. The SnO2/graphene composite exhibits high capacity and excellent electrochemical performance in lithium-ion batteries. The first discharge and charge capacities at a current density of 100 mA g(-1) are 2213 and 1402 mA h g(-1) with coulomb efficiencies of 63.35%. The discharge specific capacities remains 1359, 1228, 1090 and 1005 mA h g(-1) after 100 cycles at current densities of 100, 300, 500 and 700 mA g(-1), respectively. Even at a high current density of 1000 mA g(-1), the first discharge and charge capacities are 1502 and 876 mA h g(-1), and the discharge specific capacities remains 1057 and 677 mA h g(-1) after 420 and 1000 cycles, respectively. The SnO2/graphene composite demonstrates a stable cycle performance and high reversible capacity for lithium storage.

| S-EPMC4357011 | biostudies-other

Designed hybrid nanostructure with catalytic effect: beyond the theoretical capacity of SnO2 anode material for lithium ion batteries.

Project description:Transition metal cobalt (Co) nanoparticle was designed as catalyst to promote the conversion reaction of Sn to SnO2 during the delithiation process which is deemed as an irreversible reaction. The designed nanocomposite, named as SnO2/Co3O4/reduced-graphene-oxide (rGO), was synthesized by a simple two-step method composed of hydrothermal (1(st) step) and solvothermal (2(nd) step) synthesis processes. Compared to the pristine SnO2/rGO and SnO2/Co3O4 electrodes, SnO2/Co3O4/rGO nanocomposites exhibit significantly enhanced electrochemical performance as the anode material of lithium-ion batteries (LIBs). The SnO2/Co3O4/rGO nanocomposites can deliver high specific capacities of 1038 and 712 mAh g(-1) at the current densities of 100 and 1000 mA g(-1), respectively. In addition, the SnO2/Co3O4/rGO nanocomposites also exhibit 641 mAh g(-1) at a high current density of 1000 mA g(-1) after 900 cycles, indicating an ultra-long cycling stability under high current density. Through ex-situ TEM analysis, the excellent electrochemical performance was attributed to the catalytic effect of Co nanoparticles to promote the conversion of Sn to SnO2 and the decomposition of Li2O during the delithiation process. Based on the results, herein we propose a new method in employing the catalyst to increase the capacity of alloying-dealloying type anode material to beyond its theoretical value and enhance the electrochemical performance.

| S-EPMC4361932 | biostudies-literature

Large-Area Carbon Nanosheets Doped with Phosphorus: A High-Performance Anode Material for Sodium-Ion Batteries.

Project description:Large-area phosphorus-doped carbon nanosheets (P-CNSs) are first obtained from carbon dots (CDs) through self-assembly driving from thermal treatment with Na catalysis. This is the first time to realize the conversion from 0D CDs to 2D nanosheets doped with phosphorus. The sodium storage behavior of phosphorus-doped carbon material is also investigated for the first time. As anode material for sodium-ion batteries (SIBs), P-CNSs exhibit superb performances for electrochemical storage of sodium. When cycled at 0.1 A g-1, the P-CNSs electrode delivers a high reversible capacity of 328 mAh g-1, even at a high current density of 20 A g-1, a considerable capacity of 108 mAh g-1 can still be maintained. Besides, this material also shows excellent cycling stability, at a current density of 5 A g-1, the reversible capacity can still reach 149 mAh g-1 after 5000 cycles. This work will provide significant value for the development of both carbon materials and SIBs anode materials.

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Nitrogen-Doped Carbon for Red Phosphorous Based Anode Materials for Lithium Ion Batteries.

Project description:Serving as conductive matrix and stress buffer, the carbon matrix plays a pivotal role in enabling red phosphorus to be a promising anode material for high capacity lithium ion batteries and sodium ion batteries. In this paper, nitrogen-doping is proved to effective enhance the interface interaction between carbon and red phosphorus. In detail, the adsorption energy between phosphorus atoms and oxygen-containing functional groups on the carbon is significantly reduced by nitrogen doping, as verified by X-ray photoelectron spectroscopy. The adsorption mechanisms are further revealed on the basis of DFT (the first density functional theory) calculations. The RPNC (red phosphorus/nitrogen-doped carbon composite) material shows higher cycling stability and higher capacity than that of RPC (red phosphorus/carbon composite) anode. After 100 cycles, the RPNC still keeps discharge capacity of 1453 mAh g-1 at the current density of 300 mA g-1 (the discharge capacity of RPC after 100 cycles is 1348 mAh g-1). Even at 1200 mA g-1, the RPNC composite still delivers a capacity of 1178 mAh g-1. This work provides insight information about the interface interactions between composite materials, as well as new technology develops high performance phosphorus based anode materials.

| S-EPMC5793632 | biostudies-literature

Solvothermal-Derived S-Doped Graphene as an Anode Material for Sodium-Ion Batteries.

Project description:Sodium-ion batteries (SIBs) have attracted enormous attention in recent years due to the high abundance and low cost of sodium. However, in contrast to lithium-ion batteries, conventional graphite is unsuitable for SIB anodes because it is much more difficult to intercolate the larger Na ions into graphite layers. Therefore, it is critical to develop new anode materials for SIBs for practical use. Here, heteroatom-doped graphene with high doping levels and disordered structures is prepared using a simple and economical thermal process. The solvothermal-derived graphene shows excellent performance as an anode material for SIBs. It exhibits a high reversible capacity of 380 mAh g-1 after 300 cycles at 100 mA g-1, excellent rate performance 217 mAh g-1 at 3200 mA g-1, and superior cycling performance at 2.0 A g-1 during 1000 cycles with negligible capacity fade.

| S-EPMC5979751 | biostudies-literature

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