-
1
-
-
29844449815
-
Nitrogen in graphite and carbon nanotubes: Magnetism and mobility
-
DOI 10.1103/PhysRevB.72.205416, 205416
-
Yuchen Ma, A. S. Foster, A. V. Krasheninnikov, and R. M. Nieminen, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.72.205416 72, 205416 (2005). (Pubitemid 43033219)
-
(2005)
Physical Review B - Condensed Matter and Materials Physics
, vol.72
, Issue.20
, pp. 1-6
-
-
Ma, Y.1
Foster, A.S.2
Krasheninnikov, A.V.3
Nieminen, R.M.4
-
2
-
-
70350595887
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.80.115430
-
J. Berashevich and T. Chakraborty, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.115430 80, 115430 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 115430
-
-
Berashevich, J.1
Chakraborty, T.2
-
3
-
-
77954740203
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.80.235410
-
S. F. Huang, K. Terakura, T. Ozaki, T. Ikeda, M. Boero, M. Oshima, J. Ozaki, and S. Miyata, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.235410 80, 235410 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 235410
-
-
Huang, S.F.1
Terakura, K.2
Ozaki, T.3
Ikeda, T.4
Boero, M.5
Oshima, M.6
Ozaki, J.7
Miyata, S.8
-
4
-
-
51349085339
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2008.08.001
-
X. Lepró, E. Terrés, Y. Vega-Cantú, F. J. Rodríguez-Macías, H. Muramatsu, Y. A. Kim, T. Hayahsi, M. Endo, M. Torres, and M. Terrones, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2008.08.001 463, 124 (2008).
-
(2008)
Chem. Phys. Lett.
, vol.463
, pp. 124
-
-
Lepró, X.1
Terrés, E.2
Vega-Cantú, Y.3
Rodríguez-Macías, F.J.4
Muramatsu, H.5
Kim, Y.A.6
Hayahsi, T.7
Endo, M.8
Torres, M.9
Terrones, M.10
-
5
-
-
34548452437
-
Understanding and approaches for the durability issues of Pt-based catalysts for PEM fuel cell
-
DOI 10.1016/j.jpowsour.2007.07.004, PII S0378775307014814
-
Y. Shao, G. Yin, and Y. Gao, J. Power Sources JPSODZ 0378-7753 10.1016/j.jpowsour.2007.07.004 171, 558 (2007). (Pubitemid 47369007)
-
(2007)
Journal of Power Sources
, vol.171
, Issue.2
, pp. 558-566
-
-
Shao, Y.1
Yin, G.2
Gao, Y.3
-
6
-
-
0000178856
-
-
APPLAB 0003-6951 10.1063/1.1332976
-
S. Stafström, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1332976 77, 3941 (2000).
-
(2000)
Appl. Phys. Lett.
, vol.77
, pp. 3941
-
-
Stafström, S.1
-
7
-
-
39849109525
-
60, and their nitrogen derivatives
-
DOI 10.1021/jp710114v
-
P. A. Denis, J. Phys. Chem. C 1932-7447 10.1021/jp710114v 112, 2791 (2008). (Pubitemid 351316473)
-
(2008)
Journal of Physical Chemistry C
, vol.112
, Issue.7
, pp. 2791-2796
-
-
Denis, P.A.1
-
9
-
-
71049160081
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2009.09.074
-
M. N. Groves, A. S. W. Chan, C. Malardier-Jugroo, and M. Jugroot, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2009.09.074 481, 214 (2009).
-
(2009)
Chem. Phys. Lett.
, vol.481
, pp. 214
-
-
Groves, M.N.1
Chan, A.S.W.2
Malardier-Jugroo, C.3
Jugroot, M.4
-
10
-
-
40849085075
-
-
CRBNAH 0008-6223 10.1016/j.carbon.2008.01.006
-
S. S. Yu, W. T. Zheng, Q. B. Wen, and Q. Jiang, Carbon CRBNAH 0008-6223 10.1016/j.carbon.2008.01.006 46, 537 (2008).
-
(2008)
Carbon
, vol.46
, pp. 537
-
-
Yu, S.S.1
Zheng, W.T.2
Wen, Q.B.3
Jiang, Q.4
-
11
-
-
65649094509
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.102.205501
-
C. Jin, H. Lan, L. Peng, K. Suenaga, and S. Iijima, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.102.205501 102, 205501 (2009).
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 205501
-
-
Jin, C.1
Lan, H.2
Peng, L.3
Suenaga, K.4
Iijima, S.5
-
12
-
-
77957578085
-
-
1932-7447 10.1021/jp1066154
-
R. Rivelino, R. B. Santos, F. B. Mota, and G. K. Gueorguiev, J. Phys. Chem. C 1932-7447 10.1021/jp1066154 114, 16367 (2010).
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 16367
-
-
Rivelino, R.1
Santos, R.B.2
Mota, F.B.3
Gueorguiev, G.K.4
-
13
-
-
73349122935
-
-
1936-0851 10.1021/nn901090e
-
X. Fan, L. Liu, J. Lin, Z. Shen, and J.-L. Kuo, ACS Nano 1936-0851 10.1021/nn901090e 3, 3788 (2009).
-
(2009)
ACS Nano
, vol.3
, pp. 3788
-
-
Fan, X.1
Liu, L.2
Lin, J.3
Shen, Z.4
Kuo, J.-L.5
-
15
-
-
77956327434
-
-
MCHPES 1022-1352 10.1002/macp.201000234
-
M. H. Lai, J. H. Tsai, C. C. Chueh, C. F. Wang, and W. C. Chen, Macromol. Chem. Phys. MCHPES 1022-1352 10.1002/macp.201000234 211, 2017 (2010).
-
(2010)
Macromol. Chem. Phys.
, vol.211
, pp. 2017
-
-
Lai, M.H.1
Tsai, J.H.2
Chueh, C.C.3
Wang, C.F.4
Chen, W.C.5
-
16
-
-
31144439119
-
Electronic properties of ZnO epilayers grown on c-plane sapphire by plasma-assisted molecular beam epitaxy
-
DOI 10.1116/1.1868714
-
T. E. Murphy, D. Y. Chen, E. Cagin, and J. D. Phillips, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.1868714 23, 1277 (2005). (Pubitemid 43127359)
-
(2005)
Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
, vol.23
, Issue.3
, pp. 1277-1280
-
-
Murphy, T.E.1
Chen, D.Y.2
Cagin, E.3
Phillips, J.D.4
-
18
-
-
77954349560
-
-
0010-8545 10.1016/j.ccr.2010.02.003
-
A. A. Mohamed, Coord. Chem. Rev. 0010-8545 10.1016/j.ccr.2010.02.003 254, 1918 (2010).
-
(2010)
Coord. Chem. Rev.
, vol.254
, pp. 1918
-
-
Mohamed, A.A.1
-
20
-
-
23244460838
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.46.6671
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
21
-
-
70450206724
-
-
Revisions D.01 Gaussian, Inc., Wallingford CT
-
Gaussian 09, Revisions D.01, M. J. Frisch M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
-
(2009)
Gaussian 09
-
-
Frisch, M.J.1
Frisch, M.J.2
Trucks, G.W.3
Schlegel, H.B.4
Scuseria, G.E.5
Robb, M.A.6
Cheeseman, J.R.7
Scalmani, G.8
Barone, V.9
Mennucci, B.10
Petersson, G.A.11
Nakatsuji, H.12
Caricato, M.13
Li, X.14
Hratchian, H.P.15
Izmaylov, A.F.16
Bloino, J.17
Zheng, G.18
Sonnenberg, J.L.19
Hada, M.20
Ehara, M.21
Toyota, K.22
Fukuda, R.23
Hasegawa, J.24
Ishida, M.25
Nakajima, T.26
Honda, Y.27
Kitao, O.28
Nakai, H.29
Vreven, T.30
Montgomery Jr., J.A.31
Peralta, J.E.32
Ogliaro, F.33
Bearpark, M.34
Heyd, J.J.35
Brothers, E.36
Kudin, K.N.37
Staroverov, V.N.38
Kobayashi, R.39
Normand, J.40
Raghavachari, K.41
Rendell, A.42
Burant, J.C.43
Iyengar, S.S.44
Tomasi, J.45
Cossi, M.46
Rega, N.47
Millam, J.M.48
Klene, M.49
Knox, J.E.50
Cross, J.B.51
Bakken, V.52
Adamo, C.53
Jaramillo, J.54
Gomperts, R.55
Stratmann, R.E.56
Yazyev, O.57
Austin, A.J.58
Cammi, R.59
Pomelli, C.60
Ochterski, J.W.61
Martin, R.L.62
Morokuma, K.63
Zakrzewski, V.G.64
Voth, G.A.65
Salvador, P.66
Dannenberg, J.J.67
Dapprich, S.68
Daniels, A.D.69
̈, F.O.70
Foresman, J.B.71
Ortiz, J.V.72
Cioslowski, J.73
Fox, D.J.74
more..
-
22
-
-
0000189651
-
-
JCPSA6 0021-9606 10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
23
-
-
0345491105
-
-
PHRVAO 1098-0121 10.1103/PhysRevB.37.785B
-
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. PHRVAO 1098-0121 10.1103/PhysRevB.37.785 B 37, 785 (1988).
-
(1988)
Phys. Rev.
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
24
-
-
0000730460
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.53.R10441
-
P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.53.R10441 53, R10441 (1996).
-
(1996)
Phys. Rev. B
, vol.53
, pp. 10441
-
-
Ordejón, P.1
Artacho, E.2
Soler, J.M.3
-
26
-
-
33645426115
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
27
-
-
17944364472
-
Magnetism in BN nanotubes induced by carbon doping
-
DOI 10.1063/1.1890477, 122510
-
R. Q. Wu, L. Liu, G. W. Peng, and Y. P. Feng, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1890477 86, 122510 (2005). (Pubitemid 40596924)
-
(2005)
Applied Physics Letters
, vol.86
, Issue.12
, pp. 1-3
-
-
Wu, R.Q.1
Liu, L.2
Peng, G.W.3
Feng, Y.P.4
-
28
-
-
47249134927
-
First-principles study of ZnS nanostructures: Nanotubes, nanowires and nanosheets
-
DOI 10.1088/0957-4484/19/30/305708, PII S0957448408765498
-
X. Zhang, Z. Mingwen, Y. Shishen, H. Tao, L. Weifeng, L. Xiaohang, X. Zexiao, W. Zhenhai, L. Xiangdong, and X. Yueyuan, Nanotechnology NNOTER 0957-4484 10.1088/0957-4484/19/30/305708 19, 305708 (2008). (Pubitemid 351991684)
-
(2008)
Nanotechnology
, vol.19
, Issue.30
, pp. 305708
-
-
Zhang, X.1
Zhao, M.2
Yan, S.3
He, T.4
Li, W.5
Lin, X.6
Xi, Z.7
Wang, Z.8
Liu, X.9
Xia, Y.10
-
29
-
-
20444445821
-
The electronic structure of alkali doped alkaline earth metal oxides: Li doping of MgO studied with DFT-GGA and GGA + U
-
DOI 10.1016/j.susc.2005.04.046, PII S003960280500453X
-
M. Nolan and G. W. Watson, Surface Science SUSCAS 0039-6028 10.1016/j.susc.2005.04.046 586, 25 (2005). (Pubitemid 40822754)
-
(2005)
Surface Science
, vol.586
, Issue.1-3
, pp. 25-37
-
-
Nolan, M.1
Watson, G.W.2
-
30
-
-
27644505071
-
The electronic structure of oxygen vacancy defects at the low index surfaces of ceria
-
DOI 10.1016/j.susc.2005.08.015, PII S003960280500926X
-
M. Nolan, S. C. Parker, and, G. W. Watson, Surface Science SUSCAS 0039-6028 10.1016/j.susc.2005.08.015 595, 223 (2005). (Pubitemid 41562887)
-
(2005)
Surface Science
, vol.595
, Issue.1-3
, pp. 223-232
-
-
Nolan, M.1
Parker, S.C.2
Watson, G.W.3
-
31
-
-
10644242783
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2004.11.060
-
G. K. Gueorguiev, J. Neidhardt, S. Stafström, and L. Hultman, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2004.11.060 401, 288 (2005).
-
(2005)
Chem. Phys. Lett.
, vol.401
, pp. 288
-
-
Gueorguiev, G.K.1
Neidhardt, J.2
Stafström, S.3
Hultman, L.4
-
32
-
-
33344467531
-
-
IMSPF8 1387-3806 10.1016/j.ijms.2005.12.004
-
S. Denifl, B. Sonnweber, J. Mack, L. T. Scott, P. Scheier, K. Becker, and T. D. Märk, Int. J. Mass. Spectrom. IMSPF8 1387-3806 10.1016/j.ijms.2005. 12.004 249-250, 353 (2006).
-
(2006)
Int. J. Mass. Spectrom.
, vol.249-250
, pp. 353
-
-
Denifl, S.1
Sonnweber, B.2
MacK, J.3
Scott, L.T.4
Scheier, P.5
Becker, K.6
Märk, T.D.7
-
33
-
-
0036678095
-
Electron-intramolecular-phonon coupling and possible superconductivity in negatively charged coronene and corannulene
-
DOI 10.1063/1.1489899
-
T. Kato and T. Yamabe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1489899 117, 2324 (2002). (Pubitemid 34923633)
-
(2002)
Journal of Chemical Physics
, vol.117
, Issue.5
, pp. 2324-2331
-
-
Kato, T.1
Yamabe, T.2
-
34
-
-
27644479652
-
Deflected spin transmission from radical substituent to Corannulene's curved surface: Density functional theory calculations
-
DOI 10.1016/j.poly.2005.03.069, PII S0277538705002111
-
K. Fukui, Y. Morita, S. Nishida, T. Kobayashi, K. Sato, D. Shiomi, T. Takui, and K. Nakasuji, Polyhedron PLYHDE 0277-5387 10.1016/j.poly.2005.03.069 24, 2326 (2005). (Pubitemid 41577479)
-
(2005)
Polyhedron
, vol.24
, Issue.16-17
, pp. 2326-2329
-
-
Fukui, K.1
Morita, Y.2
Nishida, S.3
Kobayashi, T.4
Sato, K.5
Shiomi, D.6
Takui, T.7
Nakasuji, K.8
-
35
-
-
53549125539
-
-
ANCEAD 1433-7851 10.1002/anie.200704752
-
Y. Morita, A. Ueda, S. Nishida, K. Fukui, T. Ise, D. Shiomi, K. Sato, T. Takui, and K. Nakasuji, Angew. Chem. ANCEAD 1433-7851 10.1002/anie.200704752 47, 2035 (2008).
-
(2008)
Angew. Chem.
, vol.47
, pp. 2035
-
-
Morita, Y.1
Ueda, A.2
Nishida, S.3
Fukui, K.4
Ise, T.5
Shiomi, D.6
Sato, K.7
Takui, T.8
Nakasuji, K.9
-
36
-
-
21644441258
-
First-principles calculations on the curvature evolution and cross-linkage in carbon nitride
-
DOI 10.1016/j.cplett.2005.04.114, PII S0009261405006470
-
G. K. Gueorguiev, J. Neidhardt, S. Stafström, and L. Hultman, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2005.04.114 410, 228 (2005). (Pubitemid 40929406)
-
(2005)
Chemical Physics Letters
, vol.410
, Issue.4-6
, pp. 228-234
-
-
Gueorguiev, G.K.1
Neidhardt, J.2
Stafstrom, S.3
Hultman, L.4
|