High capacity group-15 alloy anodes for Na-ion batteries: Electrochemical and mechanical insights

Mortazavi, Majid; Ye, Qiongjie; Birbilis, Nick; Medhekar, Nikhil V.

doi:10.1016/j.jpowsour.2015.03.051

Cited by 80 publications

(86 citation statements)

References 58 publications

(56 reference statements)

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“…Like Si, Ge too takes up one Na per atom to form Na-Ge alloy. 24 Theoretical capacity for the Na-Ge system have been reported to be 369 mAhg -1 , which may be lower than other alloys but is still better than C-based and TMOs/TMSs anodes. 34 Furthermore, Na-Ge anode is known to undergo comparatively lower volume expansion than other available alternatives.…”

Section: Introductionmentioning

confidence: 92%

Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study

Datta¹

2018

J Mater Sci

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The abundance of Sodium (Na), its low-cost, and low reduction potential provide a lucrative inexpensive, safe, and environmentally benign alternative to Lithium Ion Batteries (LIBs). The significant challenges in advancing Sodium Ion Battery (NIB) technologies lies in finding the better electrode materials. Experimental investigations revealed the real potency of Germanium (Ge) as suitable anode materials for NIBs. However, a systematic atomistic study is necessary to understand the fundamental aspects of capacity-voltage correlation, microstructural changes of Ge, as well as diffusion kinetics. We, therefore, performed the Density Functional Theory (DFT) and Ab Initio Molecular Dynamics (AIMD) simulation to investigate the sodiation-desodiation kinetics in Germanium-Sodium system (Na 64 Ge 64 ). We analyzed the intercalation potential and capacity correlation for intermediate equilibrium structures and compared our data with the experimental results. Effect of sodiation on inter-atomic distances within Na-Ge system is analyzed by means of Pair Correlation Function (PCF). This provides insight into possible microstructural changes taking place during sodiation of amorphous Ge (a-Ge). We further investigated the diffusivity of sodium in a-Ge electrode material and analyzed the volume expansion trend for Na 64 Ge 64 electrode system. Our computational results provide the fundamental insight into the atomic scale and help experimentalists design Ge based NIBs for real-life applications.

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Section: Introductionmentioning

confidence: 92%

Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study

Datta¹

2018

J Mater Sci

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“…Computational works have predicted their electrode potentials, maximum Na uptake, Na diffusion activation barriers, volumetric change, and mechanical properties ( Figure 16 ). [ 411,412 ] Although the reversible capacity of intercalation-based electrode materials is limited by their inherent constraint of a heavy framework, metal/metalloid electrodes are able to take multiple Na ions per single atom by an alloying reaction as exemplifi ed in Figure 16 a,b, resulting in high reversible capacities of 370-2000 mA h g −1 with an average voltage of less than 1 V (Table 1 ). [ 122,412 ] However, the uptake of multiple Na ions naturally causes large volumetric changes upon cycling (Figure 16 c,d), leading to detrimental effects on cycle stability.…”

Section: Intermetallic Compoundsmentioning

confidence: 99%

Recent Progress in Electrode Materials for Sodium‐Ion Batteries

Kim

Zhang

et al. 2016

Advanced Energy Materials

884

595

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Grid‐scale energy storage systems (ESSs) that can connect to sustainable energy resources have received great attention in an effort to satisfy ever‐growing energy demands. Although recent advances in Li‐ion battery (LIB) technology have increased the energy density to a level applicable to grid‐scale ESSs, the high cost of Li and transition metals have led to a search for lower‐cost battery system alternatives. Based on the abundance and accessibility of Na and its similar electrochemistry to the well‐established LIB technology, Na‐ion batteries (NIBs) have attracted significant attention as an ideal candidate for grid‐scale ESSs. Since research on NIB chemistry resurged in 2010, various positive and negative electrode materials have been synthesized and evaluated for NIBs. Nonetheless, studies on NIB chemistry are still in their infancy compared with LIB technology, and further improvements are required in terms of energy, power density, and electrochemical stability for commercialization. Most recent progress on electrode materials for NIBs, including the discovery of new electrode materials and their Na storage mechanisms, is briefly reviewed. In addition, efforts to enhance the electrochemical properties of NIB electrode materials as well as the challenges and perspectives involving these materials are discussed.

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“…However, these materials suffer from relatively low specific capacity. In order to search for high capacity anode materials for SIBs, alloy-type metal and intermetallic have been increasingly explored [9,[14][15][16][17][18][19].…”

Section: Introductionmentioning

confidence: 99%

Binder and carbon-free SbSn-P nanocomposite thin films as anode materials for sodium-ion batteries

Pan

Zhang

et al. 2017

Journal of Alloys and Compounds

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High capacity group-15 alloy anodes for Na-ion batteries: Electrochemical and mechanical insights

Cited by 80 publications

References 58 publications

Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study

Amorphous germanium as a promising anode material for sodium ion batteries: a first principle study

Recent Progress in Electrode Materials for Sodium‐Ion Batteries

Binder and carbon-free SbSn-P nanocomposite thin films as anode materials for sodium-ion batteries

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