journal article·2019-08-27Open access

In Situ Electron Microscopy Investigation of Sodiation of Titanium Disulfide Nanoflakes

Xiuzhen Wang, Zhenpeng Yao, Sooyeon Hwang, Ying Pan, Hui Dong, Maosen Fu, Na Li, Ke Sun, Hong Gan, Yan Yao, Alán Aspuru-Guzik, Qingyu Xu, Dong Su

ACS Nano· Volume 13· Issue 8

Abstract

Two-dimensional (2D) metal sulfides show great promise 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. However, the structural and morphological evolution during their electrochemical sodiation is still unclear. Here, 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 multistep 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 compact structure after a full sodiation. First-principles calculations reveal that the as-identified phases are thermodynamically preferred at corresponding intercalation/extrusion stages compared to other possible phases. The present work provides the fundamental mechanistic understanding of the sodiation process of 2D transition metal sulfides.
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Research context

OpenAlex topics: Advancements in Battery Materials · 2D Materials and Applications · Graphene research and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Physics, Southeast University, Nanjing 211189, China

Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, United States

Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States

Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States

Department of Electrical & Computer Engineering and Materials Science and Engineering Program, University of Houston, Houston, Texas 77204, United States

State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an 710000, China

Frontier Institute of Science and Technology jointly with College of Science, State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710054, China

Department of Chemistry and Department of Computer Science, University of Toronto, Toronto, Ontario M5S 3H6, Canada

Vector Institute for Artificial Intelligence, Toronto, Ontario M5S 1M1, Canada

Canadian Institute for Advanced Research (CIFAR) Senior Fellow, Toronto, Ontario M5S 1M1, Canada

Funding

Ministry of Education of the People's Republic of China · Ministry of Science and Technology of the People's Republic of China · National Natural Science Foundation of China · Key Laboratory of MEMS of Ministry of Education, School of Electronic Science and Engineering, Southeast University

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