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The velocity of lithium iron across the entrance of carbon nanotube VLi is an important factor for the charge performance of lithium iron battery. The molecular dynamics simulation is adopted to evaluate the effects of control factors which include electric strength, functional group type, the diameter of carbon nanotube and temperature. By the L16(45) orthogonal array method, the simulations are carried out. The order of influences of control factors is electric filed intensity > functional group > diameter > temperature. Within the ranges of the control factors studied in this work, VLi increases with increasing the diameter of carbon nanotube and electric field strength. VLi decreases with successively modifying the functional groups at the end of carbon nanotube into -H, -OH, -NH2 and -COOH. With the increasing of temperature, VLi first increases then decreases, but on the whole its change is not big.
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Keywords:
- molecular dynamics /
- carbon nanotube /
- velocity of lithium ion /
- control factors
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[2] Liang C, Gao M X, Pan H G, Liu Y F, Yan M 2013 Alloy. Compd. 575 246
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[30] Thakkar D, Gevriya B, Mashru R C 2013 Spectrochim. Acta A 122 75
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[36] Zhang C B, Zhao M W, Chen Y P, Shi M H 2012 CIESC J. 63 12 (in Chinese) [张程宾, 赵沐雯, 陈永平, 施明恒 2012 化工学报 63 12]
[37] Li H M, Yang D F, Liu Q Z, Hu Y D 2013 Chem. J. Chin. Univ. 34 925 (in Chinese) [李红曼, 杨登峰, 刘清芝, 胡仰栋 2013 高等学校化学学报 34 925]
[38] Corry B 2011 Energy Environ. Sci. 4 751
-
[1] Scrosati B, Garche J 2010 Power Sources 195 2419
[2] Liang C, Gao M X, Pan H G, Liu Y F, Yan M 2013 Alloy. Compd. 575 246
[3] Landi B J, Ganter M J, Cress C D, DiLeo R A, Raffaelle R P 2009 Energy Environ. Sci. 2 638
[4] Endo M, Kim C, Nishimura K, Fujino T, Miyashita K 2000 Carbon 38 183
[5] Stura E, Nicolini C 2006 Anal. Chim. Acta 568 57
[6] Suo L, Hu Y, Li H, Armand M, Chen L 2013 Nat. Commun. 4 1481
[7] Su J, Guo H 2011 Chem. Phys. 134 244513
[8] Miao T T, Song M X, Ma W G, Zhang X 2011 Chin. Phys. B 20 56501
[9] Wang G T 2011 Chin. Phys. B 20 67305
[10] Niu Z Q, Ma W J, Dong H B, Li J Z, Zhou W Y 2011 Chin. Phys. B 20 28101
[11] De Las Casas C, Li W 2012 Power Sources 208 74
[12] Xiong Z, Yun Y S, Jin H 2013 Materials 6 1138
[13] Zhao J, Buldum A, Han J, Lu J P 2000 Phys. Rev. Lett. 85 1706
[14] Senami M, Ikeda Y, Fukushima A, Tachibana A 2011 AIP Advances 1 42106
[15] Kawasaki S, Hara T, Iwai Y, Suzuki Y 2008 Mater. Lett. 62 2917
[16] Udomvech A, Kerdcharoen T 2008 J. Korean Phys. Soc. 52 1350
[17] Nishidate K, Hasegawa M 2005 Phys. Rev. B 71 245418
[18] Yang Z, Wu H 2001 Solid State Ionics 143 173
[19] Yang S, Huo J, Song H, Chen X 2008 Electrochim. Acta 53 2238
[20] Zhang Y P, Chen T Q, Wang J H, Min G Q, Pan L K, Song Z T, Sun Z, Zhou W M, Zhang J 2012 Appl. Surf. Sci. 258 4729
[21] Wongchoosuk C, Udomvech A, Kerdcharoen T 2009 Current Appl. Phys. 9 352
[22] He Z J, Zhou J 2011 Acta Chim. Sin. 69 2901 (in Chinese) [贺仲金, 周健 2011 化学学报 69 2901]
[23] Xu K, Wang Q S, Tan B, Chen M X, Miao L, Jiang J J 2012 Acta Phys. Sin. 61 096101 (in Chinese) [徐葵, 王青松, 谭兵, 陈明璇, 缪灵, 江建军 2012 物理学报 61 096101]
[24] Ju Y Y, Zhang Q M, Gong Z Z, Ji G F 2013 Chin. Phys. B 22 83101
[25] Wang Y, Zhao Y J, Huang J P 2012 Chin. Phys. B 21 76102
[26] Xie H, Liu C 2012 AIP Advances 2 42126
[27] Xu C, He Y L, Wang Y 2005 J. Engineer. Thermophys. 26 912 (in Chinese) [徐超, 何雅玲, 王勇 2005 工程热物理学报 26 912]
[28] Wang J M, Hu J P, Liu C H, Shi S Q, Ouyang C Y 2012 Physics 41 95 (in Chinese) [王佳民, 胡军平, 刘春华, 施思齐, 欧阳楚英 2012 物理 41 95]
[29] Lyu S, Wu W T, Hou C C, Hsieh W 2010 Cryobiology 60 165
[30] Thakkar D, Gevriya B, Mashru R C 2013 Spectrochim. Acta A 122 75
[31] Jia Y, Li Y, Hu Y 2011 Acta Phys. Chim. Sin. 27 228
[32] Cao B Y, Chen M, Guo Z Y 2006 Acta Phys. Sin. 55 5305 (in Chinese) [曹炳阳, 陈民, 过增元 2006 物理学报 55 5305]
[33] Hanasaki I, Nakatani A 2006 J. Chem. Phys. 124 174714
[34] Walther J H, Ritos K, Cruz-Chu E R, Megaridis C M, Koumoutsakos P 2013 Nano Lett. 13 1910
[35] Krishnan T V, Babu J S, Sathian S P 2013 Mol. Liq. 188 42
[36] Zhang C B, Zhao M W, Chen Y P, Shi M H 2012 CIESC J. 63 12 (in Chinese) [张程宾, 赵沐雯, 陈永平, 施明恒 2012 化工学报 63 12]
[37] Li H M, Yang D F, Liu Q Z, Hu Y D 2013 Chem. J. Chin. Univ. 34 925 (in Chinese) [李红曼, 杨登峰, 刘清芝, 胡仰栋 2013 高等学校化学学报 34 925]
[38] Corry B 2011 Energy Environ. Sci. 4 751
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