Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity

被引:40
作者
Wang, Qiang [1 ]
Shen, Lei [2 ]
Xue, Tong [3 ]
Cheng, Gao [3 ]
Huang, Cheng Zhi [4 ]
Fan, Hong Jin [3 ]
Feng, Yuan Ping [5 ]
机构
[1] Southwest Univ, Sch Mat & Energy, Chongqing Key Lab Adv Mat & Technol Clean Energie, Chongqing 400715, Peoples R China
[2] Natl Univ Singapore, Dept Mech Engn, Singapore 117575, Singapore
[3] Nanyang Technol Univ, Sch Phys & Math Sci, Singapore 637371, Singapore
[4] Southwest Univ, Key Lab Luminescent & Real Time Analyt Chem, Minist Educ, Chongqing 400715, Peoples R China
[5] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore
基金
中国国家自然科学基金; 中国博士后科学基金;
关键词
crystal facets; first principles; lithium-ion batteries; lithium-ion diffusion; TiO2(B); CATHODE MATERIALS; LITHIUM STORAGE; PERFORMANCE; ANODE; GRAPHENE; ANATASE; INTERCALATION; NANOPARTICLES; TRANSITION; NANOTUBES;
D O I
10.1002/adfm.202002187
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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 H(2)Ti(3)O(7)with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate anabin-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO(2)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.
引用
收藏
页数:11
相关论文
共 74 条
[1]   Lithium Coordination Sites in LixTiO2(B): A Structural and Computational Study [J].
Armstrong, A. Robert ;
Arrouvel, Corinne ;
Gentili, Valentina ;
Parker, Stephen C. ;
Islam, M. Saiful ;
Bruce, Peter G. .
CHEMISTRY OF MATERIALS, 2010, 22 (23) :6426-6432
[2]   New interpretation of local dynamics of poly(dimethyl siloxane) observed by quasielastic neutron scattering [J].
Arrighi, V ;
Ganazzoli, F ;
Zhang, CH ;
Gagliardi, S .
PHYSICAL REVIEW LETTERS, 2003, 90 (05) :4
[3]   Lithium Insertion and Transport in the TiO2-B Anode Material: A Computational Study [J].
Arrouvel, Corinne ;
Parker, Stephen C. ;
Islam, M. Saiful .
CHEMISTRY OF MATERIALS, 2009, 21 (20) :4778-4783
[4]   Computational Studies of Electrode Materials in Sodium-Ion Batteries [J].
Bai, Qiang ;
Yang, Lufeng ;
Chen, Hailong ;
Mo, Yifei .
ADVANCED ENERGY MATERIALS, 2018, 8 (17)
[5]   Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Sc, Ti, V, Cu and Zn [J].
Biesinger, Mark C. ;
Lau, Leo W. M. ;
Gerson, Andrea R. ;
Smart, Roger St. C. .
APPLIED SURFACE SCIENCE, 2010, 257 (03) :887-898
[6]   TiO2-(B) Nanotubes as Anodes for Lithium Batteries: Origin and Mitigation of Irreversible Capacity [J].
Brutti, Sergio ;
Gentili, Valentina ;
Menard, Herve ;
Scrosati, Bruno ;
Bruce, Peter G. .
ADVANCED ENERGY MATERIALS, 2012, 2 (03) :322-327
[7]   Photocatalytic Properties of One-Dimensional Nanostructured Titanates [J].
Chatterjee, S. ;
Bhattacharyya, K. ;
Ayyub, P. ;
Tyagi, A. K. .
JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (20) :9424-9430
[8]   Thermodynamics of Lithium in TiO2(B) from First Principles [J].
Dalton, Andrew S. ;
Belak, Anna A. ;
Van der Ven, Anton .
CHEMISTRY OF MATERIALS, 2012, 24 (09) :1568-1574
[9]   Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials [J].
De Angelis, Filippo ;
Di Valentin, Cristiana ;
Fantacci, Simona ;
Vittadini, Andrea ;
Selloni, Annabella .
CHEMICAL REVIEWS, 2014, 114 (19) :9708-9753
[10]   AN ALL-ELECTRON NUMERICAL-METHOD FOR SOLVING THE LOCAL DENSITY FUNCTIONAL FOR POLYATOMIC-MOLECULES [J].
DELLEY, B .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (01) :508-517