Origin of anomalous high-rate Na-ion electrochemistry in layered bismuth telluride anodes
Abstract
Van der Waals layered metal chalcogenide Bi2Te3 has shown exceptional capacity and rate capability in alkali-ion batteries but the underlying reaction mechanism with Li+, Na+, and K+ remains undiscovered. It is unexpected that Na+ electrochemistry outperforms Li+ and K+ at high current densities. Here, in situ transmission electron microscopy is used to uncover nanoscale transformations during lithiation, sodiation, and potassiation, which follows two-step conversion and alloying reactions with Li+ and Na+, and three-step intercalation-conversion-alloying reactions with K+. Counterintuitively, sodiation exhibits the highest reaction kinetics, and its origin can be elucidated by first-principles and finite-element simulations in two aspects. The lower interfacial strain accommodation energy between Bi2Te3 and its Na-conversion products allows more facile sodiation phase transformation than Li- and K-ion reactions. The higher chemo-mechanical stress concentration at the concave-shaped sodiation reaction front facilitates continued Na-ion diffusion and reaction propagation. These fundamental insights are essential for fast-charging alkali-ions batteries.
- Authors:
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainable Transportation Office. Vehicle Technologies Office (VTO); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
- OSTI Identifier:
- 1763837
- Alternate Identifier(s):
- OSTI ID: 1764009; OSTI ID: 1764591
- Report Number(s):
- BNL-220971-2021-JAAM; BNL-220984-2021-JAAM
Journal ID: ISSN 2590-2385; S2590238521000059; PII: S2590238521000059
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Published Article
- Journal Name:
- Matter (Online)
- Additional Journal Information:
- Journal Name: Matter (Online); Journal ID: ISSN 2590-2385
- Publisher:
- Cell Press/Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 29 ENERGY PLANNING, POLICY, AND ECONOMY; 25 ENERGY STORAGE; Li-ion batteries; Na-ion batteries; K-ion batteries; in situ TEM; Bi2Te3; metal chalcogenides; chemo-mechanical stress; reaction front geometry; electrochemo-mechanical stress; sodiation; potassiation
Citation Formats
Cui, Jiang, Zheng, Hongkui, Zhang, Zilong, Hwang, Sooyeon, Yang, Xiao-Qing, and He, Kai. Origin of anomalous high-rate Na-ion electrochemistry in layered bismuth telluride anodes. United States: N. p., 2021.
Web. doi:10.1016/j.matt.2021.01.005.
Cui, Jiang, Zheng, Hongkui, Zhang, Zilong, Hwang, Sooyeon, Yang, Xiao-Qing, & He, Kai. Origin of anomalous high-rate Na-ion electrochemistry in layered bismuth telluride anodes. United States. https://doi.org/10.1016/j.matt.2021.01.005
Cui, Jiang, Zheng, Hongkui, Zhang, Zilong, Hwang, Sooyeon, Yang, Xiao-Qing, and He, Kai. Mon .
"Origin of anomalous high-rate Na-ion electrochemistry in layered bismuth telluride anodes". United States. https://doi.org/10.1016/j.matt.2021.01.005.
@article{osti_1763837,
title = {Origin of anomalous high-rate Na-ion electrochemistry in layered bismuth telluride anodes},
author = {Cui, Jiang and Zheng, Hongkui and Zhang, Zilong and Hwang, Sooyeon and Yang, Xiao-Qing and He, Kai},
abstractNote = {Van der Waals layered metal chalcogenide Bi2Te3 has shown exceptional capacity and rate capability in alkali-ion batteries but the underlying reaction mechanism with Li+, Na+, and K+ remains undiscovered. It is unexpected that Na+ electrochemistry outperforms Li+ and K+ at high current densities. Here, in situ transmission electron microscopy is used to uncover nanoscale transformations during lithiation, sodiation, and potassiation, which follows two-step conversion and alloying reactions with Li+ and Na+, and three-step intercalation-conversion-alloying reactions with K+. Counterintuitively, sodiation exhibits the highest reaction kinetics, and its origin can be elucidated by first-principles and finite-element simulations in two aspects. The lower interfacial strain accommodation energy between Bi2Te3 and its Na-conversion products allows more facile sodiation phase transformation than Li- and K-ion reactions. The higher chemo-mechanical stress concentration at the concave-shaped sodiation reaction front facilitates continued Na-ion diffusion and reaction propagation. These fundamental insights are essential for fast-charging alkali-ions batteries.},
doi = {10.1016/j.matt.2021.01.005},
journal = {Matter (Online)},
number = ,
volume = ,
place = {United States},
year = {Mon Feb 01 00:00:00 EST 2021},
month = {Mon Feb 01 00:00:00 EST 2021}
}
https://doi.org/10.1016/j.matt.2021.01.005
Works referenced in this record:
Galvanostatic Intermittent Titration Technique for Phase-Transformation Electrodes
journal, January 2010
- Zhu, Yujie; Wang, Chunsheng
- The Journal of Physical Chemistry C, Vol. 114, Issue 6
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Sb-doped SnO2/graphene-CNT aerogels for high performance Li-ion and Na-ion battery anodes
journal, October 2017
- Cui, Jiang; Yao, Shanshan; Huang, Jian-Qiu
- Energy Storage Materials, Vol. 9
Issues and challenges facing rechargeable lithium batteries
journal, November 2001
- Tarascon, J.-M.; Armand, M.
- Nature, Vol. 414, Issue 6861, p. 359-367
Kinetic analysis on LiFePO4 thin films by CV, GITT, and EIS
journal, May 2011
- Tang, Kun; Yu, Xiqian; Sun, Jinpeng
- Electrochimica Acta, Vol. 56, Issue 13
Peering into Alloy Anodes for Sodium‐Ion Batteries: Current Trends, Challenges, and Opportunities
journal, February 2019
- Tan, Huiteng; Chen, Dong; Rui, Xianhong
- Advanced Functional Materials, Vol. 29, Issue 14
SnSe 2 2D Anodes for Advanced Sodium Ion Batteries
journal, August 2016
- Zhang, Fan; Xia, Chuan; Zhu, Jiajie
- Advanced Energy Materials, Vol. 6, Issue 22
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Particle size and performance of SnS2 anodes for rechargeable lithium batteries
journal, June 2003
- Mukaibo, Hitomi; Yoshizawa, Atsuhito; Momma, Toshiyuki
- Journal of Power Sources, Vol. 119-121
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Revealing Pseudocapacitive Mechanisms of Metal Dichalcogenide SnS 2 /Graphene-CNT Aerogels for High-Energy Na Hybrid Capacitors
journal, December 2017
- Cui, Jiang; Yao, Shanshan; Lu, Ziheng
- Advanced Energy Materials, Vol. 8, Issue 10
Algorithm for generating derivative structures
journal, June 2008
- Hart, Gus L. W.; Forcade, Rodney W.
- Physical Review B, Vol. 77, Issue 22
Novel 2D Sb 2 S 3 Nanosheet/CNT Coupling Layer for Exceptional Polysulfide Recycling Performance
journal, June 2018
- Yao, Shanshan; Cui, Jiang; Huang, Jian‐Qiu
- Advanced Energy Materials, Vol. 8, Issue 24
Extremely Weak van der Waals Coupling in Vertical ReS 2 Nanowalls for High-Current-Density Lithium-Ion Batteries
journal, January 2016
- Zhang, Qin; Tan, Shuangjie; Mendes, Rafael G.
- Advanced Materials, Vol. 28, Issue 13
Recent progress in rational design of anode materials for high-performance Na-ion batteries
journal, April 2017
- Cui, Jiang; Yao, Shanshan; Kim, Jang-Kyo
- Energy Storage Materials, Vol. 7
Anion Vacancies Regulating Endows MoSSe with Fast and Stable Potassium Ion Storage
journal, September 2019
- He, Hanna; Huang, Dan; Gan, Qingmeng
- ACS Nano, Vol. 13, Issue 10
Taming Active Material-Solid Electrolyte Interfaces with Organic Cathode for All-Solid-State Batteries
journal, May 2019
- Hao, Fang; Chi, Xiaowei; Liang, Yanliang
- Joule, Vol. 3, Issue 5
"Special points for Brillouin-zone integrations"—a reply
journal, August 1977
- Pack, James D.; Monkhorst, Hendrik J.
- Physical Review B, Vol. 16, Issue 4
High Yield Bi 2 Te 3 Single Crystal Nanosheets with Uniform Morphology via a Solvothermal Synthesis
journal, January 2013
- Zhang, Y.; Hu, L. P.; Zhu, T. J.
- Crystal Growth & Design, Vol. 13, Issue 2
Unveiling the Unique Phase Transformation Behavior and Sodiation Kinetics of 1D van der Waals Sb 2 S 3 Anodes for Sodium Ion Batteries
journal, December 2016
- Yao, Shanshan; Cui, Jiang; Lu, Ziheng
- Advanced Energy Materials, Vol. 7, Issue 8
Orientation‐Dependent Intercalation Channels for Lithium and Sodium in Black Phosphorus
journal, September 2019
- Kim, Sungkyu; Cui, Jiang; Dravid, Vinayak P.
- Advanced Materials, Vol. 31, Issue 46
Phosphorus: An Anode of Choice for Sodium-Ion Batteries
journal, April 2018
- Ni, Jiangfeng; Li, Liang; Lu, Jun
- ACS Energy Letters, Vol. 3, Issue 5
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
Thin solid electrolyte interface on chemically bonded Sb2Te3/CNT composite anodes for high performance sodium ion full cells
journal, May 2020
- Ihsan-Ul-Haq, Muhammad; Huang, He; Wu, Junxiong
- Nano Energy, Vol. 71
Metal Chalcogenides: Paving the Way for High‐Performance Sodium/Potassium‐Ion Batteries
journal, October 2019
- Tan, Huiteng; Feng, Yuezhan; Rui, Xianhong
- Small Methods, Vol. 4, Issue 1
Stress generation during lithiation of high-capacity electrode particles in lithium ion batteries
journal, July 2013
- Huang, S.; Fan, F.; Li, J.
- Acta Materialia, Vol. 61, Issue 12
Electrochemical intercalation of sodium in graphite
journal, September 1988
- Ge, P.
- Solid State Ionics, Vol. 28-30
Emerging Non-Aqueous Potassium-Ion Batteries: Challenges and Opportunities
journal, May 2017
- Wu, Xianyong; Leonard, Daniel P.; Ji, Xiulei
- Chemistry of Materials, Vol. 29, Issue 12
A phosphorene–graphene hybrid material as a high-capacity anode for sodium-ion batteries
journal, September 2015
- Sun, Jie; Lee, Hyun-Wook; Pasta, Mauro
- Nature Nanotechnology, Vol. 10, Issue 11
Multi-shell hollow structured Sb2S3 for sodium-ion batteries with enhanced energy density
journal, June 2019
- Xie, Fangxi; Zhang, Lei; Gu, Qinfen
- Nano Energy, Vol. 60
Effect of electrode structure on performance of Si anode in Li-ion batteries: Si particle size and conductive additive
journal, January 2005
- Liu, Wei-Ren; Guo, Zheng-Zao; Young, Wen-Shiue
- Journal of Power Sources, Vol. 140, Issue 1, p. 139-144
Understanding Challenges of Cathode Materials for Sodium‐Ion Batteries using Synchrotron‐Based X‐Ray Absorption Spectroscopy
journal, July 2019
- Chen, Mingzhe; Chou, Shu‐Lei; Dou, Shi‐Xue
- Batteries & Supercaps, Vol. 2, Issue 10
MoS 2 /Graphene Nanosheets from Commercial Bulky MoS 2 and Graphite as Anode Materials for High Rate Sodium-Ion Batteries
journal, December 2017
- Sun, Dan; Ye, Delai; Liu, Ping
- Advanced Energy Materials, Vol. 8, Issue 10
In situ / operando characterization techniques for rechargeable lithium–sulfur batteries: a review
journal, January 2017
- Tan, Jian; Liu, Dongna; Xu, Xu
- Nanoscale, Vol. 9, Issue 48
Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries
journal, September 2017
- Lin, Feng; Liu, Yijin; Yu, Xiqian
- Chemical Reviews, Vol. 117, Issue 21
Enhanced conversion reaction kinetics in low crystallinity SnO 2 /CNT anodes for Na-ion batteries
journal, January 2016
- Cui, Jiang; Xu, Zheng-Long; Yao, Shanshan
- Journal of Materials Chemistry A, Vol. 4, Issue 28
Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy
journal, May 2016
- He, Kai; Zhang, Sen; Li, Jing
- Nature Communications, Vol. 7, Issue 1
Kinetic Phase Evolution of Spinel Cobalt Oxide during Lithiation
journal, September 2016
- Li, Jing; He, Kai; Meng, Qingping
- ACS Nano, Vol. 10, Issue 10
In Situ TEM of Two-Phase Lithiation of Amorphous Silicon Nanospheres
journal, January 2013
- McDowell, Matthew T.; Lee, Seok Woo; Harris, Justin T.
- Nano Letters, Vol. 13, Issue 2
Revealing the Critical Factor in Metal Sulfide Anode Performance in Sodium‐Ion Batteries: An Investigation of Polysulfide Shuttling Issues
journal, November 2019
- Hu, Mingxiang; Ju, Zhengyu; Bai, Zhongchao
- Small Methods, Vol. 4, Issue 1
Atomic-Scale Observation of Electrochemically Reversible Phase Transformations in SnSe 2 Single Crystals
journal, October 2018
- Kim, Sungkyu; Yao, Zhenpeng; Lim, Jin-Myoung
- Advanced Materials, Vol. 30, Issue 51
Confining SnS2 Ultrathin Nanosheets in Hollow Carbon Nanostructures for Efficient Capacitive Sodium Storage
journal, April 2018
- Liu, Yuhan; Yu, Xin-Yao; Fang, Yongjin
- Joule, Vol. 2, Issue 4
Review of Recent Development of In Situ/Operando Characterization Techniques for Lithium Battery Research
journal, May 2019
- Liu, Dongqing; Shadike, Zulipiya; Lin, Ruoqian
- Advanced Materials, Vol. 31, Issue 28
Beyond Insertion for Na-Ion Batteries: Nanostructured Alloying and Conversion Anode Materials
journal, January 2018
- Zhang, Huang; Hasa, Ivana; Passerini, Stefano
- Advanced Energy Materials, Vol. 8, Issue 17
Understanding materials challenges for rechargeable ion batteries with in situ transmission electron microscopy
journal, August 2017
- Yuan, Yifei; Amine, Khalil; Lu, Jun
- Nature Communications, Vol. 8, Issue 1
Ultrathin Sb2S3 nanosheet anodes for exceptional pseudocapacitive contribution to multi-battery charge storage
journal, July 2019
- Yao, Shanshan; Cui, Jiang; Deng, Yang
- Energy Storage Materials, Vol. 20
Atomic-Scale Monitoring of Electrode Materials in Lithium-Ion Batteries using In Situ Transmission Electron Microscopy
journal, October 2017
- Shang, Tongtong; Wen, Yuren; Xiao, Dongdong
- Advanced Energy Materials, Vol. 7, Issue 23
ElaStic: A tool for calculating second-order elastic constants from first principles
journal, August 2013
- Golesorkhtabar, Rostam; Pavone, Pasquale; Spitaler, Jürgen
- Computer Physics Communications, Vol. 184, Issue 8
Advanced analytical electron microscopy for lithium-ion batteries
journal, June 2015
- Qian, Danna; Ma, Cheng; More, Karren L.
- NPG Asia Materials, Vol. 7, Issue 6
Positioning Organic Electrode Materials in the Battery Landscape
journal, September 2018
- Liang, Yanliang; Yao, Yan
- Joule, Vol. 2, Issue 9
Failure Prediction of High-Capacity Electrode Materials in Lithium-Ion Batteries
journal, January 2016
- Wang, Chengpeng; Ma, Zengsheng; Wang, Yan
- Journal of The Electrochemical Society, Vol. 163, Issue 7
Carbon Electrodes for K-Ion Batteries
journal, September 2015
- Jian, Zelang; Luo, Wei; Ji, Xiulei
- Journal of the American Chemical Society, Vol. 137, Issue 36
Na 11 Sn 2 PS 12 : a new solid state sodium superionic conductor
journal, January 2018
- Zhang, Z.; Ramos, E.; Lalère, F.
- Energy & Environmental Science, Vol. 11, Issue 1
In Situ Transmission Electron Microscopy for Energy Materials and Devices
journal, June 2019
- Fan, Zheng; Zhang, Liqiang; Baumann, Daniel
- Advanced Materials, Vol. 31, Issue 33
Nanocrystalline SnS 2 coated onto reduced graphene oxide: demonstrating the feasibility of a non-graphitic anode with sulfide chemistry for potassium-ion batteries
journal, January 2017
- Lakshmi, V.; Chen, Ying; Mikhaylov, Alexey A.
- Chemical Communications, Vol. 53, Issue 59
A New Emerging Technology: Na‐Ion Batteries
journal, April 2019
- Hu, Yong‐Sheng; Komaba, Shinichi; Forsyth, Maria
- Small Methods, Vol. 3, Issue 4
Avoiding Fracture in a Conversion Battery Material through Reaction with Larger Ions
journal, September 2018
- Boebinger, Matthew G.; Yeh, David; Xu, Michael
- Joule, Vol. 2, Issue 9