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In Situ Electron Microscopy Investigation of Sodiation of Titanium Disulfide Nanoflakes

Journal Article · · ACS Nano
 [1];  [2];  [3];  [3];  [4];  [5];  [6];  [3];  [3];  [4];  [7];  [8];  [3]
  1. Southeast Univ., Nanjing (China); Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Harvard Univ., Cambridge, MA (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States)
  4. Univ. of Houston, TX (United States)
  5. Northwestern Polytechnical Univ., Xi’an (China)
  6. Xi’an Jiaotong Univ., (China); Brookhaven National Lab. (BNL), Upton, NY (United States)
  7. Harvard Univ., Cambridge, MA (United States); Univ. of Toronto, ON (Canada); Vector Inst. for Artificial Intelligence, Toronto, ON (Canada); Canadian Inst. for Advanced Research (CIFAR), Toronto, ON (Canada)
  8. Southeast Univ., Nanjing (China)
+ Show Author Affiliations
Two-dimensional (2D) metal sulfides show great promises for their potential applications as electrode materials of sodium ion batteries because of the weak interlayer van der Waals interactions which allow the reversible accommodation and extraction of sodium ions. The sodiation of metal sulfides can undergo a distinct process compared to that of lithiation, which is determined by their metal and structural types. Yet, the structural and morphological evolution during its electrochemical sodiation is still unclear. In this report, we studied the sodiation reaction dynamics of TiS2 by employing in situ transmission electron microscopy and first-principles calculations. During the sodium ion intercalation process, we observed multiple intermediate phases (phase II, phase Ib, and phase Ia), different from its lithiation counterpart, with varied sodium occupation sites and interlayer stacking sequences. Further insertion of Na ions prompted a multi-step extrusion reaction which led to the phase separation of Ti metal from the Na2S matrix, with its 2D morphology expanded to a 3D morphology. In contrast to regular conversion electrodes, TiS2 still maintained a compacted structure after a full sodiation. Frist-principles calculations reveal that the as-identified phases are thermodynamically preferred at corresponding intercalation/extrusion stages compared to other possible phases. The current work provides the fundamental mechanistic understanding of the sodiation process of 2D transition metal sulfides.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
National Key Research and Development Program of China; National Natural Science Foundation of China; USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
EE0008234; SC0012704
OSTI ID:
1558239
Report Number(s):
BNL--211982-2019-JAAM
Journal Information:
ACS Nano, Journal Name: ACS Nano Journal Issue: 8 Vol. 13; ISSN 1936-0851
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

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Cited By (1)

Cobalt-promoted fabrication of 3D carbon with a nanotube-sheet mutual support structure: scalable preparation of a high-performance anode material for Li-ion batteries journal November 2019

Figures / Tables (7)

Figure 1(p. 23)figure Figure 1
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Figure 6(p. 28)figure Figure 6
Table 1(p. 29)table Table 1

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Related Subjects

25 ENERGY STORAGE
density functional theory
in situ transmission electron microscopy
multi-step sodiation
sodium-ion batteries
titanium disulfide