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Title: Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity
Authors: Wang, Qiang
Shen, Lei 
Xue, Tong
Cheng, Gao
Huang, Cheng Zhi
Fan, Hong Jin
Feng, Yuan Ping 
Keywords: crystal facets
first principles
lithium-ion batteries
lithium-ion diffusion
Issue Date: 25-Jun-2020
Publisher: Wiley-VCH Verlag
Citation: Wang, Qiang, Shen, Lei, Xue, Tong, Cheng, Gao, Huang, Cheng Zhi, Fan, Hong Jin, Feng, Yuan Ping (2020-06-25). Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity. Advanced Functional Materials 31 (2) : 2002187. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
Abstract: The {100} facet of single-crystalline TiO2(B) is an ideal platform for inserting Li ions, but it is hard to be obtained due to its high surface energy. Here, the single-crystalline TiO2(B) nanobelts from H2Ti3O7 with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate an ab in-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO2 formula with specific capacity up to 335 mAh g−1, which is in good agreement with the electrochemical characterizations. Coating with conductive and protective poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), the cut-off discharge voltage is as low as 0.5 V, leading to a capacity of 160.7 mAh g−1 after 1500 cycles with a retention rate of 66% at 1C. This work provides a practical strategy to increase the Li-ion capacity and cycle stability by tailoring the crystal orientation and nanostructures. © 2020 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Source Title: Advanced Functional Materials
ISSN: 1616-301X
DOI: 10.1002/adfm.202002187
Rights: Attribution 4.0 International
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