Germanium sulfide nanosheet: a universal anode material for alkali metal ion batteries

Li, Feng; Qu, Yuanyuan; Zhao, Mingwen

doi:10.1039/c6ta03210a

Cited by 218 publications

(148 citation statements)

References 78 publications

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“…The sufficient charge transfer from adatoms is responsible for this semiconductor-to-metal transition. Similar phenomenon has also been observed in other semiconducting electrode materials such as silicene, 41 phosphorus 37,38,50,51 and GeS sheets 39,52 .…”

Section: Adatom Adsorption On Gansupporting

confidence: 84%

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Zhang

Jin

Dai

et al. 2018

ACS Appl. Mater. Interfaces

108

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Identifying applicable anode materials is a significant task for Li-and Na-ion battery (LIB and NIB) technologies. We propose the GaN monolayer (2D GaN) can be a good anode candidate. The GaN monolayer manifests stable Li/Na adsorption and inherently low theoretical voltages. Most excitingly, both high storage capacity and extremely fast Li/Na diffusion can be simultaneously realized in the GaN monolayer. For Li, the storage capacity and diffusion barrier is 938 mA h g -1 and 80 meV , respectively.And the values for Na are 625 mA h g -1 and 22 meV. Comparing with known 2D anode materials with similar scale of ion diffusion barriers, the GaN monolayer almost possesses the highest Li/Na storage capacity discovered to date. Our work suggests that the 2D GaN is a prospective anode material offering fast ion diffusion and high storage capacity.The Li-ion batteries (LIBs) have been intensively used nowadays. The success of LIBs mainly benefits from their excellent energy conversion efficiency and good storage capacity. 1-5 Nevertheless, the development of LIBs has currently faced increasing challenge due to the naturally limited lithium resource and their high production cost. [6][7][8] As a result, non-Li-ion batteries have emerged in recent years. 9-15 Among them, Na-ion batteries (NIBs) have attracted the most attentions. 9,10 This arises from that the sodium has relatively low cost. For LIBs and NIBs, the electrochemical performance is the most dependent on their electrode materials; thus developing good electrode materials is one of major focuses in current battery technologies. Two-dimensional (2D) materials have offered great potential as ion battery electrodes, because their fully exposed surfaces are believed to provide fast ion diffusion and the maximum ion insertion channels. [16][17][18] Up to date, several families of 2D materials, such as graphene, [19][20][21] MXenes, [22][23][24][25][26][27][28] transition-metal dichalcogenides (TMDCs), 29-32 transition-metal dinitrides (TMDNs), 33 borophenes, 34-36 and others [37][38][39][40] have been identified as LIBs and NIBs electrodes. For battery electrode materials, the ion diffusion speed and the storage capacity are two of the most crucial indicators for the electrode performances. However, most known 2D electrode materials can only achieve high performance on one of these indicators. 2D anode materials, for example, Mo 2 C, 24,25 Nb 2 C 26 and Ti 3 C 2 23 are proposed to offer very fast Li/Na diffusion speed but have low or moderate storage capacities; silicence 41 and β 12 /χ 3 Borophene 35 show extremely high Li/Na storage capacities but have poor ion diffusion speed. Thus there is urgent need to explore excellent electrode materials which can offer fast ion diffusion and high storage capacity simultaneously.As a well-known semiconductor, GaN has been widely used for variable applications. 42 Unlike traditional 2D materials, it is previously quite a challenge to prepare freestanding 2D GaN by routine exfoliation technologies, because its bulk phase natural...

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Section: Adatom Adsorption On Gansupporting

confidence: 84%

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Zhang

Jin

Dai

et al. 2018

ACS Appl. Mater. Interfaces

108

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“…For Na atoms, the formation energy increased with the increase in x , and a negative enough formation energy of −0.23 eV persisted at x= 2. These values are much larger than those for other typical electrode materials, such as the formation energy of Li on Nb 2 C (−0.02 eV atom −1 ) and Mo 2 C (−0.01 eV atom −1 ), and also Na on Ca 2 N (−0.003 eV atom −1 ) and GeS (−0.02 eV atom −1 ) . Therefore, these values practically ensure the good stability of Li 2 Sc 2 C and Na 2 Sc 2 C. Here, x= 2 means that there is one Li/Na adlayer on each side of the Sc 2 C layer, and the chemical stoichiometry for the fully adsorbed systems can be written as Li 2 Sc 2 C and Na 2 Sc 2 C. Given that multilayer adsorption means high storage capacity, we next explored the average adsorption energy as the Li/Na atom number was increased.…”

Section: Resultsmentioning

confidence: 95%

“…Finally, we checked the average electrode potential (

V_{normala normalv}

) for Li and Na atoms on an Sc 2 C monolayer, which is defined as

V_{a v} = - \frac{[E_{{normalM}_{x_{2}} {S c}_{2} C} - E_{{normalM}_{x_{1}} {S c}_{2} C} - (x_{2} - x_{1}) E_{normalM}]}{(x_{2} - x_{1}) e}

, in which

E_{M_{x} {normalS normalc}_{2} normalC}

and

E_{M}

are the total energies of

{normalM}_{x} {S c}_{2} C

and per Li/Na atom in the bulk metal crystal, respectively, and x represents the number of Li/Na atoms adsorbed on 2D Sc 2 C. According to the definition, the maximum storage capacity corresponds to the stoichiometry, beyond which

V_{normala normalv}

becomes negative. The voltage reflects the sequence of a stable phase in the system as the phase transition leads to plateaus in the potential versus Li/Na atom content plot . For Li atom adsorption on a 2D Sc 2 C monolayer, the electrode potential varied in the range of 0.27 to 0.51 V, and eight plateaus appeared at Li 0 Sc 2 C to Li 0.25 Sc 2 C, Li 0.25 Sc 2 C to Li 0.5 Sc 2 C, Li 0.5 Sc 2 C to Li 0.75 Sc 2 C, Li 0.75 Sc 2 C to Li 1 Sc 2 C, Li 1 Sc 2 C to Li 1.25 Sc 2 C, Li 1.25 Sc 2 C to Li 1.5 Sc 2 C, Li 1.5 Sc 2 C to Li 1.75 Sc 2 C, and Li 1.75 Sc 2 C to Li 2 Sc 2 C, as shown in Figure a.…”

Section: Resultsmentioning

confidence: 99%

Sc₂C as a Promising Anode Material with High Mobility and Capacity: A First‐Principles Study

et al. 2017

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Two-dimensional (2D) Sc C, an example of a MXene, has been attracting extensive attention due to its distinctive properties and great potential in applications such as energy storage. In light of its high capacity and fast charging-discharging performance, Sc C exhibits significant potential as an anode material for lithium- and sodium-ion batteries. Herein, a systematic investigation of Li/Na atom adsorption and diffusion on Sc C planes was performed based on density functional calculations. The metallic character of pristine and adsorbed Sc C ensures desirable electric conductivity, which indicates the advantages of 2D Sc C for lithium- and sodium-ion batteries. A significant charge transfer from the Li/Na atoms to Sc C is predicted, which indicates the cationic state of the adatoms. In addition, the diffusion barriers are as low as 0.018 and 0.012 eV for Li and Na, respectively, which illustrates the high mobility and cycling ability of Sc C. In particular, each formula unit of Sc C can adsorb up to two Li/Na atoms, which corresponds to a relatively high theoretical capacity of 462 or 362 mAh g . The average electrode potential was calculated to be as low as 0.32 and 0.24 V for stoichiometric Li Sc C and Na Sc C, respectively, which makes Sc C attractive for the overall voltage of the cell. Herein, our results suggest that Sc C could be a promising anode candidate for both lithium-ion and sodium-ion batteries.

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“…The Na storage capacities of graphite, MoS 2 , and SnS 2 are 35, 146, and 492 mAh/g, respectively. Finally, the K storage capacities of Ti 3 C 2 , GeS, and Mo 2 C are limited to 192, 256, and 263 mAh/g, respectively. Furthermore, the Li/Na storage capacities of Be doped and Be‐B DDG are 2303.3/1005.7 mAh/g and 2334/1012 mAh/g, respectively .…”

Section: Resultsmentioning

confidence: 99%

Adsorption and diffusion of alkali‐atoms (Li, Na, and K) on BeN dual doped graphene

Ullah

Denis

Sato

2019

Int J of Quantum Chemistry

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We employ first‐principles DFT calculations to explore the potential use of BeN dual doped graphene (DDG) as an anode material for alkali‐based batteries. The introduction of BeN in graphene raise the adsorption of Li, Na, and K by 1.37 eV (2.23 times), 1.23 eV (2.83 times), and 1.14 eV (2.14 times), respectively. Furthermore, BeN DDG offers a modest energy barrier for alkali atoms studied. Moreover, the alkali atoms have good chemistry with Be and the interaction strength decreases during the migration toward N. Most importantly, the exceptional storage capacity of BeN DDG for Li (~2255 mAh/g), Na (~996 mAh/g), and K (~747 mAh/g) makes it a highly desirable anode material. Additionally, the average open circuit voltage offered for Li (0.66 V), Na (0.33 V), and (K = 1.10 V) is found to be in excellent range. All these outstanding properties provide the possibility of using BeN DDG in future alkali‐based batteries.

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Germanium sulfide nanosheet: a universal anode material for alkali metal ion batteries

Abstract: 2D-GeS is a universal anode material for alkali-metal ion batteries with low diffusion barriers and high storage capacity of ions.

Cited by 218 publications

References 78 publications

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Sc₂C as a Promising Anode Material with High Mobility and Capacity: A First‐Principles Study

Adsorption and diffusion of alkali‐atoms (Li, Na, and K) on BeN dual doped graphene

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Germanium sulfide nanosheet: a universal anode material for alkali metal ion batteries

Abstract: 2D-GeS is a universal anode material for alkali-metal ion batteries with low diffusion barriers and high storage capacity of ions.

Cited by 218 publications

References 78 publications

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Two-Dimensional GaN: An Excellent Electrode Material Providing Fast Ion Diffusion and High Storage Capacity for Li-Ion and Na-Ion Batteries

Sc2C as a Promising Anode Material with High Mobility and Capacity: A First‐Principles Study

Adsorption and diffusion of alkali‐atoms (Li, Na, and K) on BeN dual doped graphene

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Sc₂C as a Promising Anode Material with High Mobility and Capacity: A First‐Principles Study