-
1
-
-
0035890440
-
Issues and challenges facing rechargeable lithium batteries
-
J.M. Tarascon, M. Armand, Issues and challenges facing rechargeable lithium batteries, Nature 414 (2001) 359-367.
-
(2001)
Nature
, vol.414
, pp. 359-367
-
-
Tarascon, J.M.1
Armand, M.2
-
2
-
-
11644298091
-
Mechanisms for lithium insertion in carbonaceous materials
-
J.R. Dahn, T. Zheng, Y.H. Liu, J.S. Xue, Mechanisms for lithium insertion in carbonaceous materials, Science 270 (1995) 590-593.
-
(1995)
Science
, vol.270
, pp. 590-593
-
-
Dahn, J.R.1
Zheng, T.2
Liu, Y.H.3
Xue, J.S.4
-
3
-
-
19944376050
-
Carbon nanotubes: Physics and applications
-
S. Bellucci, Carbon nanotubes: physics and applications, Phys. status solidi (c) 2 (2005) 34-47.
-
(2005)
Phys. Status Solidi (C)
, vol.2
, pp. 34-47
-
-
Bellucci, S.1
-
4
-
-
34248355918
-
Nanotube electronics e a flexible approach to mobility
-
S. Hong, S. Myung, Nanotube electronics e a flexible approach to mobility, Nat. Nanotechnol. 2 (2007) 207-208.
-
(2007)
Nat. Nanotechnol.
, vol.2
, pp. 207-208
-
-
Hong, S.1
Myung, S.2
-
5
-
-
0034723247
-
Strength and breaking mechanism of multiwalled carbon nanotubes under tensile load
-
M.-F. Yu, O. Lourie, M.J. Dyer, K. Moloni, T.F. Kelly, R.S. Ruoff, Strength and breaking mechanism of multiwalled carbon nanotubes under tensile load, Science 287 (2000) 637-640.
-
(2000)
Science
, vol.287
, pp. 637-640
-
-
Yu, M.-F.1
Lourie, O.2
Dyer, M.J.3
Moloni, K.4
Kelly, T.F.5
Ruoff, R.S.6
-
6
-
-
0034900294
-
Modeling of molecular hydrogen and lithium adsorption on single-wall carbon nanotubes
-
P. Dubot, P. Cenedese, Modeling of molecular hydrogen and lithium adsorption on single-wall carbon nanotubes, Phys. Rev. B 6324 (2001) 241402.
-
(2001)
Phys. Rev. B
, vol.6324
, pp. 241402
-
-
Dubot, P.1
Cenedese, P.2
-
7
-
-
9744279974
-
First-principles study of Li-intercalated carbon nanotube ropes
-
J. Zhao, A. Buldum, J. Han, J. Ping Lu, First-principles study of Li-intercalated carbon nanotube ropes, Phys. Rev. Lett. 85 (2000) 1706.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 1706
-
-
Zhao, J.1
Buldum, A.2
Han, J.3
Ping Lu, J.4
-
8
-
-
0035892194
-
Insertion of lithium ions into carbon nanotubes: An ab initio study
-
T. Kar, J. Pattanayak, S. Scheiner, Insertion of lithium ions into carbon nanotubes: an ab initio study, J. Phys. Chem. A 105 (2001) 10397-10403.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 10397-10403
-
-
Kar, T.1
Pattanayak, J.2
Scheiner, S.3
-
9
-
-
0035881156
-
Theoretical study of alkali-atom insertion into small-radius carbon nanotubes to form single-atom chains
-
J. Yang, H.J. Liu, C.T. Chan, Theoretical study of alkali-atom insertion into small-radius carbon nanotubes to form single-atom chains, Phys. Rev. B 64 (2001) 085420.
-
(2001)
Phys. Rev. B
, vol.64
, pp. 085420
-
-
Yang, J.1
Liu, H.J.2
Chan, C.T.3
-
10
-
-
0036680187
-
Review of the doping of carbon nanotubes (multiwalled and single-walled)
-
L. Duclaux, Review of the doping of carbon nanotubes (multiwalled and single-walled), Carbon 40 (2002) 1751-1764.
-
(2002)
Carbon
, vol.40
, pp. 1751-1764
-
-
Duclaux, L.1
-
11
-
-
1942516972
-
First-principles study on lithium absorption in carbon nanotubes
-
Y. Liu, H. Yukawa, M. Morinaga, First-principles study on lithium absorption in carbon nanotubes, Comput. Mater. Sci. 30 (2004) 50-56.
-
(2004)
Comput. Mater. Sci.
, vol.30
, pp. 50-56
-
-
Liu, Y.1
Yukawa, H.2
Morinaga, M.3
-
12
-
-
16244373390
-
First principles study of Li and Li+ adsorbed on carbon nanotube: Variation of tubule diameter and length
-
A. Udomvech, T. Kerdcharoen, T. Osotchan, First principles study of Li and Li+ adsorbed on carbon nanotube: variation of tubule diameter and length, Chem. Phys. Lett. 406 (2005) 161-166.
-
(2005)
Chem. Phys. Lett.
, vol.406
, pp. 161-166
-
-
Udomvech, A.1
Kerdcharoen, T.2
Osotchan, T.3
-
13
-
-
19444380790
-
Curvature-induced condensation of lithium confined inside single-walled carbon nanotubes: First-principles calculations
-
M.W. Zhao, Y.Y. Xia, X.D. Liu, Z.Y. Tan, B.D. Huang, F. Li, Y.J. Ji, C. Song, Curvature-induced condensation of lithium confined inside single-walled carbon nanotubes: first-principles calculations, Phys. Lett. A 340 (2005) 434-439.
-
(2005)
Phys. Lett. A
, vol.340
, pp. 434-439
-
-
Zhao, M.W.1
Xia, Y.Y.2
Liu, X.D.3
Tan, Z.Y.4
Huang, B.D.5
Li, F.6
Ji, Y.J.7
Song, C.8
-
14
-
-
53849094469
-
Interaction and concerted diffusion of lithium in a (5,5) carbon nanotube
-
M. Khantha, N.A. Cordero, J.A. Alonso, M. Cawkwell, L.A. Girifalco, Interaction and concerted diffusion of lithium in a (5,5) carbon nanotube, Phys. Rev. B 78 (2008) 115430.
-
(2008)
Phys. Rev. B
, vol.78
, pp. 115430
-
-
Khantha, M.1
Cordero, N.A.2
Alonso, J.A.3
Cawkwell, M.4
Girifalco, L.A.5
-
15
-
-
0037127817
-
Ab initio investigations of lithium diffusion in carbon nanotube systems
-
V. Meunier, J. Kephart, C. Roland, J. Bernholc, Ab initio investigations of lithium diffusion in carbon nanotube systems, Phys. Rev. Lett. 88 (2002) 075506.
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 075506
-
-
Meunier, V.1
Kephart, J.2
Roland, C.3
Bernholc, J.4
-
16
-
-
0037633230
-
Lithium diffusion in single-walled carbon nanotubes: A theoretical study
-
C. Garau, A. Frontera, D. Quinonero, A. Costa, P. Ballester, P.M. Deya, Lithium diffusion in single-walled carbon nanotubes: a theoretical study, Chem. Phys. Lett. 374 (2003) 548-555.
-
(2003)
Chem. Phys. Lett.
, vol.374
, pp. 548-555
-
-
Garau, C.1
Frontera, A.2
Quinonero, D.3
Costa, A.4
Ballester, P.5
Deya, P.M.6
-
17
-
-
28644449912
-
Diffusion and condensation of lithium atoms in single-walled carbon nanotubes
-
M. Zhao, Y. Xia, L. Mei, Diffusion and condensation of lithium atoms in single-walled carbon nanotubes, Phys. Rev. B 71 (2005) 165413.
-
(2005)
Phys. Rev. B
, vol.71
, pp. 165413
-
-
Zhao, M.1
Xia, Y.2
Mei, L.3
-
18
-
-
28244450719
-
Energetics of lithium ion adsorption on defective carbon nanotubes
-
K. Nishidate, M. Hasegawa, Energetics of lithium ion adsorption on defective carbon nanotubes, Phys. Rev. B 71 (2005) 245418.
-
(2005)
Phys. Rev. B
, vol.71
, pp. 245418
-
-
Nishidate, K.1
Hasegawa, M.2
-
19
-
-
76949086351
-
First-principles study of alkali-atom doping in a series of zigzag and armchair carbon nanotubes
-
Y.W. Wen, H.J. Liu, X.J. Tan, L. Pan, J. Shi, First-principles study of alkali-atom doping in a series of zigzag and armchair carbon nanotubes, J. Appl. Phys. 107 (2010) 034312.
-
(2010)
J. Appl. Phys.
, vol.107
, pp. 034312
-
-
Wen, Y.W.1
Liu, H.J.2
Tan, X.J.3
Pan, L.4
Shi, J.5
-
20
-
-
79955427887
-
Theoretical study of alkali atom doped outside 4 angstrom carbon nanotubes
-
Y.W. Wen, H.J. Liu, L. Miao, Y. Hu, Theoretical study of alkali atom doped outside 4 angstrom carbon nanotubes, J. Nanosci. Nanotechnol. 10 (2010) 5399-5403.
-
(2010)
J. Nanosci. Nanotechnol.
, vol.10
, pp. 5399-5403
-
-
Wen, Y.W.1
Liu, H.J.2
Miao, L.3
Hu, Y.4
-
21
-
-
0001965173
-
Electrochemical intercalation of lithium into multiwall carbon nanotubes
-
G. Maurin, C. Bousquet, F. Henn, P. Bernier, R. Almairac, B. Simon, Electrochemical intercalation of lithium into multiwall carbon nanotubes, Chem. Phys. Lett. 312 (1999) 14-18.
-
(1999)
Chem. Phys. Lett.
, vol.312
, pp. 14-18
-
-
Maurin, G.1
Bousquet, C.2
Henn, F.3
Bernier, P.4
Almairac, R.5
Simon, B.6
-
22
-
-
0011342981
-
Electrochemical intercalation of single-walled carbon nanotubes with lithium
-
B. Gao, A. Kleinhammes, X.P. Tang, C. Bower, L. Fleming, Y. Wu, O. Zhou, Electrochemical intercalation of single-walled carbon nanotubes with lithium, Chem. Phys. Lett. 307 (1999) 153-157.
-
(1999)
Chem. Phys. Lett.
, vol.307
, pp. 153-157
-
-
Gao, B.1
Kleinhammes, A.2
Tang, X.P.3
Bower, C.4
Fleming, L.5
Wu, Y.6
Zhou, O.7
-
23
-
-
0034251017
-
Solid-state electrochemistry of the Li single wall carbon nanotube system
-
A.S. Claye, J.E. Fischer, C.B. Huffman, A.G. Rinzler, R.E. Smalley, Solid-state electrochemistry of the Li single wall carbon nanotube system, J. Electrochem. Soc. 147 (2000) 2845-2852.
-
(2000)
J. Electrochem. Soc.
, vol.147
, pp. 2845-2852
-
-
Claye, A.S.1
Fischer, J.E.2
Huffman, C.B.3
Rinzler, A.G.4
Smalley, R.E.5
-
24
-
-
3142723405
-
Enhanced lithium absorption in single-walled carbon nanotubes by boron doping
-
Z. Zhou, X.P. Gao, J. Yan, D.Y. Song, M. Morinaga, Enhanced lithium absorption in single-walled carbon nanotubes by boron doping, J. Phys. Chem. B 108 (2004) 9023-9026.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 9023-9026
-
-
Zhou, Z.1
Gao, X.P.2
Yan, J.3
Song, D.Y.4
Morinaga, M.5
-
25
-
-
14844288361
-
Do composite single-walled nanotubes have enhanced capability for lithium storage?
-
Z. Zhou, J.J. Zhao, X.P. Gao, Z.F. Chen, J. Yan, P.V. Schleyer, M. Morinaga, Do composite single-walled nanotubes have enhanced capability for lithium storage? Chem. Mater. 17 (2005) 992-1000.
-
(2005)
Chem. Mater.
, vol.17
, pp. 992-1000
-
-
Zhou, Z.1
Zhao, J.J.2
Gao, X.P.3
Chen, Z.F.4
Yan, J.5
Schleyer, P.V.6
Morinaga, M.7
-
26
-
-
0035938153
-
Energetics and electronic structures of encapsulated C-60 in a carbon nanotube
-
S. Okada, S. Saito, A. Oshiyama, Energetics and electronic structures of encapsulated C-60 in a carbon nanotube, Phys. Rev. Lett. 86 (2001) 3835-3838.
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 3835-3838
-
-
Okada, S.1
Saito, S.2
Oshiyama, A.3
-
27
-
-
33847625951
-
A novel hybrid carbon material
-
A.G. Nasibulin, P.V. Pikhitsa, H. Jiang, D.P. Brown, A.V. Krasheninnikov, A.S. Anisimov, P. Queipo, A. Moisala, D. Gonzalez, G. Lientschnig, A. Hassanien, S.D. Shandakov, G. Lolli, D.E. Resasco, M. Choi, D. Tomanek, E.I. Kauppinen, A novel hybrid carbon material, Nat. Nano 2 (2007) 156-161.
-
(2007)
Nat. Nano
, vol.2
, pp. 156-161
-
-
Nasibulin, A.G.1
Pikhitsa, P.V.2
Jiang, H.3
Brown, D.P.4
Krasheninnikov, A.V.5
Anisimov, A.S.6
Queipo, P.7
Moisala, A.8
Gonzalez, D.9
Lientschnig, G.10
Hassanien, A.11
Shandakov, S.D.12
Lolli, G.13
Resasco, D.E.14
Choi, M.15
Tomanek, D.16
Kauppinen, E.I.17
-
28
-
-
38549136576
-
First-principles study of a hybrid carbon material: Imperfect fullerenes covalently bonded to defective single-walled carbon nanotubes
-
T. Meng, C.-Y. Wang, S.-Y. Wang, First-principles study of a hybrid carbon material: imperfect fullerenes covalently bonded to defective single-walled carbon nanotubes, Phys. Rev. B 77 (2008) 033415.
-
(2008)
Phys. Rev. B
, vol.77
, pp. 033415
-
-
Meng, T.1
Wang, C.-Y.2
Wang, S.-Y.3
-
29
-
-
0038556730
-
Electronic and transport properties of carbon nanotube peapods
-
A. Rochefort, Electronic and transport properties of carbon nanotube peapods, Phys. Rev. B 67 (2003) 115401.
-
(2003)
Phys. Rev. B
, vol.67
, pp. 115401
-
-
Rochefort, A.1
-
30
-
-
57749201816
-
Electrochemical lithium ion storage property of C-60 encapsulated single-walled carbon nanotubes
-
S. Kawasaki, Y. Mai, M. Hirose, Electrochemical lithium ion storage property of C-60 encapsulated single-walled carbon nanotubes, Mater. Res. Bull. 44 (2009) 415-417.
-
(2009)
Mater. Res. Bull.
, vol.44
, pp. 415-417
-
-
Kawasaki, S.1
Mai, Y.2
Hirose, M.3
-
31
-
-
72849148565
-
Enhanced hydrogen adsorptivity of single-wall carbon nanotube bundles by one-step C-60-pillaring method
-
M. Arai, S. Utsumi, M. Kanamaru, K. Urita, T. Fujimori, N. Yoshizawa, D. Noguchi, K. Nishiyama, Y. Hattori, F. Okino, T. Ohba, H. Tanaka, H. Kanoh, K. Kaneko, Enhanced hydrogen adsorptivity of single-wall carbon nanotube bundles by one-step C-60-pillaring method, Nano Lett. 9 (2009) 3694-3698.
-
(2009)
Nano Lett.
, vol.9
, pp. 3694-3698
-
-
Arai, M.1
Utsumi, S.2
Kanamaru, M.3
Urita, K.4
Fujimori, T.5
Yoshizawa, N.6
Noguchi, D.7
Nishiyama, K.8
Hattori, Y.9
Okino, F.10
Ohba, T.11
Tanaka, H.12
Kanoh, H.13
Kaneko, K.14
-
32
-
-
84862833161
-
Mechanism of Li adsorption on carbon nanotube-fullerene hybrid system: A first-principles study
-
W. Koh, J.I. Choi, K. Donaher, S.G. Lee, S.S. Jang, Mechanism of Li adsorption on carbon nanotube-fullerene hybrid system: a first-principles study, Acs Appl. Mater. Interfaces 3 (2011) 1186-1194.
-
(2011)
Acs Appl. Mater. Interfaces
, vol.3
, pp. 1186-1194
-
-
Koh, W.1
Choi, J.I.2
Donaher, K.3
Lee, S.G.4
Jang, S.S.5
-
33
-
-
78049528876
-
First-principles study of Li adsorption in a carbon nanotube-fullerene hybrid system
-
W. Koh, J.I. Choi, S.G. Lee, W.R. Lee, S.S. Jang, First-principles study of Li adsorption in a carbon nanotube-fullerene hybrid system, Carbon 49 (2011) 286-293.
-
(2011)
Carbon
, vol.49
, pp. 286-293
-
-
Koh, W.1
Choi, J.I.2
Lee, S.G.3
Lee, W.R.4
Jang, S.S.5
-
34
-
-
34447260582
-
An all-electron numerical-method for solving the local density functional for polyatomic-molecules
-
B. Delley, An all-electron numerical-method for solving the local density functional for polyatomic-molecules, J. Chem. Phys. 92 (1990) 508-517.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 508-517
-
-
Delley, B.1
-
35
-
-
0034319689
-
From molecules to solids with the DMol(3) approach
-
B. Delley, From molecules to solids with the DMol(3) approach, J. Chem. Phys. 113 (2000) 7756-7764.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7756-7764
-
-
Delley, B.1
-
36
-
-
4243943295
-
Generalized gradient approximation made simple
-
J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (1996) 3865-3868.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
37
-
-
2842565972
-
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
-
J.P. Perdew, K. Burke, Y. Wang, Generalized gradient approximation for the exchange-correlation hole of a many-electron system, Phys. Rev. B 54 (1996) 16533.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
38
-
-
84860160804
-
Covalently bonded three-dimensional carbon nanotube solids via boron induced nanojunctions
-
D.P. Hashim, N.T. Narayanan, J.M. Romo-Herrera, D.A. Cullen, M.G. Hahm, P. Lezzi, J.R. Suttle, D. Kelkhoff, E. Munoz-Sandoval, S. Ganguli, A.K. Roy, D.J. Smith, R. Vajtai, B.G. Sumpter, V. Meunier, H. Terrones, M. Terrones, P.M. Ajayan, Covalently bonded three-dimensional carbon nanotube solids via boron induced nanojunctions, Sci. Rep-Uk 2 (2012).
-
(2012)
Sci. Rep-Uk
, vol.2
-
-
Hashim, D.P.1
Narayanan, N.T.2
Romo-Herrera, J.M.3
Cullen, D.A.4
Hahm, M.G.5
Lezzi, P.6
Suttle, J.R.7
Kelkhoff, D.8
Munoz-Sandoval, E.9
Ganguli, S.10
Roy, A.K.11
Smith, D.J.12
Vajtai, R.13
Sumpter, B.G.14
Meunier, V.15
Terrones, H.16
Terrones, M.17
Ajayan, P.M.18
-
39
-
-
84878032293
-
Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes
-
S.Z. Wen, W. Guan, Y.H. Kan, G.C. Yang, N.N. Ma, L.K. Yan, Z.M. Su, G.H. Chen, Theoretical insights into [PMo12O40](3-) grafted on single-walled carbon nanotubes, Phys. Chem. Chem. Phys. 15 (2013) 9177-9185.
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 9177-9185
-
-
Wen, S.Z.1
Guan, W.2
Kan, Y.H.3
Yang, G.C.4
Ma, N.N.5
Yan, L.K.6
Su, Z.M.7
Chen, G.H.8
-
40
-
-
84880527480
-
Boron-vacancy pairing and its effect on the electronic properties of carbon nanotubes
-
K.E. Kweon, G.S. Hwang, Y.H. Kim, Boron-vacancy pairing and its effect on the electronic properties of carbon nanotubes, Ecs Solid State Lett. 1 (2012) M19-M23.
-
(2012)
Ecs Solid State Lett.
, vol.1
, pp. M19-M23
-
-
Kweon, K.E.1
Hwang, G.S.2
Kim, Y.H.3
-
41
-
-
33746583585
-
First-principles study of hydrogen storage on Li12C60
-
Q. Sun, P. Jena, Q. Wang, M. Marquez, First-principles study of hydrogen storage on Li12C60, J. Am. Chem. Soc. 128 (2006) 9741-9745.
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 9741-9745
-
-
Sun, Q.1
Jena, P.2
Wang, Q.3
Marquez, M.4
-
42
-
-
84896985555
-
Designs of fullerene-based frameworks for hydrogen storage
-
Y. Gao, X.J. Wu, X.C. Zeng, Designs of fullerene-based frameworks for hydrogen storage, J. Mater. Chem. A 2 (2014) 5910-5914.
-
(2014)
J. Mater. Chem. A
, vol.2
, pp. 5910-5914
-
-
Gao, Y.1
Wu, X.J.2
Zeng, X.C.3
-
43
-
-
1842816907
-
Special points for brillouin-zone integrations
-
H.J. Monkhorst, J.D. Pack, Special points for brillouin-zone integrations, Phys. Rev. B 13 (1976) 5188-5192.
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
44
-
-
36849131261
-
Electronic population analysis on Lcao-Mo molecular wave functions 3. Effects of hybridization on overlap and gross Ao populations
-
R.S. Mulliken, Electronic population analysis on Lcao-Mo molecular wave functions 3. Effects of hybridization on overlap and gross Ao populations, J. Chem. Phys. 23 (1955) 2338-2342.
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 2338-2342
-
-
Mulliken, R.S.1
-
45
-
-
0001577625
-
Population analysis in plane wave electronic structure calculations
-
M.D. Segall, C.J. Pickard, R. Shah, M.C. Payne, Population analysis in plane wave electronic structure calculations, Mol. Phys. 89 (1996) 571-577.
-
(1996)
Mol. Phys.
, vol.89
, pp. 571-577
-
-
Segall, M.D.1
Pickard, C.J.2
Shah, R.3
Payne, M.C.4
-
46
-
-
0003919080
-
-
Van Nostrand Reinhold, New York, NY
-
K.P. Huber, G. Herzberg, Constants of Diatomic Molecules, Van Nostrand Reinhold, New York, NY, 1979.
-
(1979)
Constants of Diatomic Molecules
-
-
Huber, K.P.1
Herzberg, G.2
|