Journal
JOURNAL OF MATERIALS CHEMISTRY A
Volume 3, Issue 16, Pages 8627-8635Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5ta01073j
Keywords
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Funding
- National Natural Science Foundation of China [51202050, 51162007]
- Scientific Research Setup Fund of Hainan University
- Scientific Research Innovation Team of the Characteristic Resources Development and Utilization in Hainan Island
- Special Fund for the Midwest Universities Comprehensive Strength Promotion
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RuxTi1-xNb2O7 (x = 0 and 0.01) materials have been synthesized via a solid- state reaction method. X- ray diffraction combined with Rietveld refinements demonstrates that both samples have a Wadsley- Roth shear structure with a C2/m space group without any impurities, and that the unit cell volume increases after the trace Ru4+ doping. Scanning electron microscopy and specific surface area tests reveal that the Ru4+ doping decreases the average particle size. The Li+ ion diffusion coefficient and electronic conductivity of Ru0.01Ti0.99Nb2O7 are respectively 64% and at least two orders of magnitude larger than those of the pristine TiNb2O7. First- principles calculations show that the increased electronic conductivity can result from the formation of impurity bands after the Ru4+ doping. Ru0.01Ti0.99Nb2O7 exhibits a large initial discharge capacity of 351 mA h g(-1) at 0.1 C between 3.0 and 0.8 V vs. Li/Li+, approaching its theoretical capacity (388 mA h g (-1)). At 5 C, unlike the pristine TiNb2O7 with a small charge capacity of 115 mA h g (-1), Ru0.01Ti0.99Nb2O7 delivers a large value of 181 mA h g (-1), even exceeding the theoretical capacity of the popular spinel Li4Ti5O12 (175 mA h g (-1)). After 100 cycles, Ru0.01Ti0.99Nb2O7 shows a large capacity retention of 90.1%. These outstanding electrochemical performances can be attributed to its improved Li+ ionic and electronic conductivity as well as smaller particle size.
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