-
1
-
-
78650663146
-
Epitaxial growth of a silicene sheet
-
B. Lalmi, H. Oughaddou, H. Enriquez, A. Kara, S. Vizzini, B. Ealet, and et al. Epitaxial growth of a silicene sheet Appl. Phys. Lett. 97 2010 223109
-
(2010)
Appl. Phys. Lett.
, vol.97
, pp. 223109
-
-
Lalmi, B.1
Oughaddou, H.2
Enriquez, H.3
Kara, A.4
Vizzini, S.5
Ealet, B.6
-
2
-
-
84896788425
-
Electronic structures of reconstructed zigzag silicene nanoribbons
-
Y. Ding, and Y. Wang Electronic structures of reconstructed zigzag silicene nanoribbons Appl. Phys. Lett. 104 2014 083111
-
(2014)
Appl. Phys. Lett.
, vol.104
, pp. 083111
-
-
Ding, Y.1
Wang, Y.2
-
3
-
-
84862189529
-
Experimental evidence for epitaxial silicene on diboride thin films
-
A. Fleurence, R. Friedlein, T. Ozaki, H. Kawai, Y. Wang, and Y. Yamada-Takamura Experimental evidence for epitaxial silicene on diboride thin films Phys. Rev. Lett. 108 2012 245501
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 245501
-
-
Fleurence, A.1
Friedlein, R.2
Ozaki, T.3
Kawai, H.4
Wang, Y.5
Yamada-Takamura, Y.6
-
5
-
-
81255129700
-
A review on silicene - New candidate for electronics
-
A. Kara, H. Enriquez, A.P. Seitsonen, L.C. Lew Yan Voon, S. Vizzini, B. Aufray, and et al. A review on silicene - new candidate for electronics Surf. Sci. Rep. 67 2012 1 18
-
(2012)
Surf. Sci. Rep.
, vol.67
, pp. 1-18
-
-
Kara, A.1
Enriquez, H.2
Seitsonen, A.P.3
Lew Yan Voon, L.C.4
Vizzini, S.5
Aufray, B.6
-
6
-
-
84892509460
-
Silicene and germanene A first principle study of electronic structure and effect of hydrogenation-passivation
-
S. Trivedi, A. Srivastava, and R. Kurchania Silicene and germanene A first principle study of electronic structure and effect of hydrogenation-passivation J. Comput. Theor. Nanosci. 11 2014 781 788
-
(2014)
J. Comput. Theor. Nanosci.
, vol.11
, pp. 781-788
-
-
Trivedi, S.1
Srivastava, A.2
Kurchania, R.3
-
8
-
-
79960208141
-
Ab initio simulations of silicene hydrogenation
-
T.H. Osborn, A.a. Farajian, O.V. Pupysheva, R.S. Aga, and L.C. Lew Yan Voon Ab initio simulations of silicene hydrogenation Chem. Phys. Lett. 511 2011 101 105
-
(2011)
Chem. Phys. Lett.
, vol.511
, pp. 101-105
-
-
Osborn, T.H.1
Farajian, A.2
Pupysheva, O.V.3
Aga, R.S.4
Lew Yan Voon, L.C.5
-
9
-
-
84894490472
-
Manifold electronic structure transition of hybrid silicane-silicene nanoribbons
-
G. Li, J. Tan, X. Liu, X. Wang, F. Li, and M. Zhao Manifold electronic structure transition of hybrid silicane-silicene nanoribbons Chem. Phys. Lett. 595-596 2014 20 24
-
(2014)
Chem. Phys. Lett.
, vol.595-596
, pp. 20-24
-
-
Li, G.1
Tan, J.2
Liu, X.3
Wang, X.4
Li, F.5
Zhao, M.6
-
10
-
-
84864190691
-
Silicene structures on silver surfaces
-
H. Enriquez, S. Vizzini, A. Kara, B. Lalmi, and H. Oughaddou Silicene structures on silver surfaces J. Phys. Condens. Matter 24 2012 314211
-
(2012)
J. Phys. Condens. Matter
, vol.24
, pp. 314211
-
-
Enriquez, H.1
Vizzini, S.2
Kara, A.3
Lalmi, B.4
Oughaddou, H.5
-
11
-
-
79953786275
-
Structures and electronic properties of silicene clusters: A promising material for FET and hydrogen storage
-
D. Jose, and A. Datta Structures and electronic properties of silicene clusters: a promising material for FET and hydrogen storage Phys. Chem. Chem. Phys. 13 2011 7304 7311
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 7304-7311
-
-
Jose, D.1
Datta, A.2
-
12
-
-
84894225033
-
Structures and chemical properties of silicene: Unlike graphene
-
D. Jose, and A. Datta Structures and chemical properties of silicene: unlike graphene Acc. Chem. Res. 47 2014 593 602
-
(2014)
Acc. Chem. Res.
, vol.47
, pp. 593-602
-
-
Jose, D.1
Datta, A.2
-
13
-
-
67249122406
-
Two- and one-dimensional honeycomb structures of silicon and germanium
-
S. Cahangirov, M. Topsakal, E. Akturk, H. Sahin, and S. Ciraci Two- and one-dimensional honeycomb structures of silicon and germanium Phys. Rev. Lett. 102 2009 236804
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 236804
-
-
Cahangirov, S.1
Topsakal, M.2
Akturk, E.3
Sahin, H.4
Ciraci, S.5
-
14
-
-
84874035445
-
Substrate-induced symmetry breaking in silicene
-
C.-L. Lin, R. Arafune, K. Kawahara, M. Kanno, N. Tsukahara, E. Minamitani, Y. Kim, M. Kawai, and N. Takagi Substrate-induced symmetry breaking in silicene Phys. Rev. Lett. 110 2013 076801
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 076801
-
-
Lin, C.-L.1
Arafune, R.2
Kawahara, K.3
Kanno, M.4
Tsukahara, N.5
Minamitani, E.6
Kim, Y.7
Kawai, M.8
Takagi, N.9
-
16
-
-
84862551902
-
Adsorption and dissociation of Cl2 molecule on ZnO nanocluster
-
J. Beheshtian, A.A. Peyghan, and Z. Bagheri Adsorption and dissociation of Cl2 molecule on ZnO nanocluster Appl. Surf. Sci. 258 2012 8171 8176
-
(2012)
Appl. Surf. Sci.
, vol.258
, pp. 8171-8176
-
-
Beheshtian, J.1
Peyghan, A.A.2
Bagheri, Z.3
-
18
-
-
84877339507
-
Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study
-
A.A. Peyghan, M. Noei, and S. Yourdkhani Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study Superlattices Microstruct. 59 2013 115 122
-
(2013)
Superlattices Microstruct.
, vol.59
, pp. 115-122
-
-
Peyghan, A.A.1
Noei, M.2
Yourdkhani, S.3
-
19
-
-
84897664977
-
Density-functional calculations of HCN adsorption on the pristine and Si-doped graphynes
-
J. Beheshtian, A.A. Peyghan, Z. Bagheri, and M.B. Tabar Density-functional calculations of HCN adsorption on the pristine and Si-doped graphynes Struct. Chem. 25 2013 1 7
-
(2013)
Struct. Chem.
, vol.25
, pp. 1-7
-
-
Beheshtian, J.1
Peyghan, A.A.2
Bagheri, Z.3
Tabar, M.B.4
-
20
-
-
79959190033
-
-
Gaussian, Inc., Wallingford, CT
-
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, D.J. Fox, Gaussian 09 Revision D.01, Gaussian, Inc., Wallingford, CT, 2009.
-
(2009)
Gaussian 09 Revision D.01
-
-
Frisch, M.J.1
-
21
-
-
34250817103
-
A new mixing of Hartree-Fock and local density - Functional theories
-
A.D. Becke A new mixing of Hartree-Fock and local density - functional theories J. Chem. Phys. 98 1993 1372
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
Becke, A.D.1
-
22
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
A.D. Becke Density-functional exchange-energy approximation with correct asymptotic behavior Phys. Rev. A 38 1988 3098 3100
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
23
-
-
33745770836
-
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
-
P.J. Hay, and W.R. Wadt Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg J. Chem. Phys. 82 1985 270
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270
-
-
Hay, P.J.1
Wadt, W.R.2
-
24
-
-
0006073669
-
Ab initio effective core potentials for molecular calculations. Potentials for main group elements na to Bi
-
W.R. Wadt, and P.J. Hay Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi J. Chem. Phys. 82 1985 284
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 284
-
-
Wadt, W.R.1
Hay, P.J.2
-
25
-
-
40549115627
-
A library for package-independent computational chemistry algorithms
-
M.N. O'Boyle, A.L. Tenderholt, and K.M. Langner A library for package-independent computational chemistry algorithms J. Comput. Chem. 29 2008 839 845
-
(2008)
J. Comput. Chem.
, vol.29
, pp. 839-845
-
-
O'Boyle, M.N.1
Tenderholt, A.L.2
Langner, K.M.3
-
26
-
-
84892763341
-
Bandgap opening in silicene: Effect of substrates
-
N. Gao, J.C. Li, and Q. Jiang Bandgap opening in silicene: effect of substrates Chem. Phys. Lett. 592 2014 222 226
-
(2014)
Chem. Phys. Lett.
, vol.592
, pp. 222-226
-
-
Gao, N.1
Li, J.C.2
Jiang, Q.3
-
28
-
-
84897115211
-
Influence of fluorine substitution on the properties of CdO nanocluster: A DFT approach
-
S. Sriram, R. Chandiramouli, and B.G. Jeyaprakash Influence of fluorine substitution on the properties of CdO nanocluster: a DFT approach Struct. Chem. 25 2013 389 401
-
(2013)
Struct. Chem.
, vol.25
, pp. 389-401
-
-
Sriram, S.1
Chandiramouli, R.2
Jeyaprakash, B.G.3
-
30
-
-
77953134624
-
Effects of the edge shape and the width on the structural and electronic properties of silicene nanoribbons
-
Y.-L. Song, Y. Zhang, J.-M. Zhang, and D.-B. Lu Effects of the edge shape and the width on the structural and electronic properties of silicene nanoribbons Appl. Surf. Sci. 256 2010 6313 6317
-
(2010)
Appl. Surf. Sci.
, vol.256
, pp. 6313-6317
-
-
Song, Y.-L.1
Zhang, Y.2
Zhang, J.-M.3
Lu, D.-B.4
-
31
-
-
84863297317
-
Electronic structures of silicene fluoride and hydride
-
Y. Ding, and Y. Wang Electronic structures of silicene fluoride and hydride Appl. Phys. Lett. 100 2012 083102
-
(2012)
Appl. Phys. Lett.
, vol.100
, pp. 083102
-
-
Ding, Y.1
Wang, Y.2
-
32
-
-
84928953941
-
NiO nanocone as a CO sensor: DFT investigation
-
V. Nagarajan, and R. Chandiramouli NiO nanocone as a CO sensor: DFT investigation Struct. Chem. 25 2014 1765 1771
-
(2014)
Struct. Chem.
, vol.25
, pp. 1765-1771
-
-
Nagarajan, V.1
Chandiramouli, R.2
-
34
-
-
84911996150
-
DFT investigation of formaldehyde adsorption characteristics on MgO nanotube
-
V. Nagarajan, and R. Chandiramouli DFT investigation of formaldehyde adsorption characteristics on MgO nanotube J. Inorg. Organomet. Polym. Mater. 24 2014 1038 1047
-
(2014)
J. Inorg. Organomet. Polym. Mater.
, vol.24
, pp. 1038-1047
-
-
Nagarajan, V.1
Chandiramouli, R.2
-
35
-
-
11644266970
-
Electronic population analysis on LCAO-MO molecular wave functions
-
R.S. Mulliken Electronic population analysis on LCAO-MO molecular wave functions J. Chem. Phys. 23 1955 1833 1840
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 1833-1840
-
-
Mulliken, R.S.1
-
36
-
-
84931009665
-
CO adsorption characteristics on impurity substituted In2O3 nanostructures: A density functional theory investigation
-
V. Nagarajan, and R. Chandiramouli CO adsorption characteristics on impurity substituted In2O3 nanostructures: a density functional theory investigation J. Inorg. Organomet. Polym. Mater. 2015
-
(2015)
J. Inorg. Organomet. Polym. Mater.
-
-
Nagarajan, V.1
Chandiramouli, R.2
-
38
-
-
84904541309
-
Silicene nanoribbons as carbon monoxide nanosensors with molecular resolution
-
T.H. Osborn, and A.a. Farajian Silicene nanoribbons as carbon monoxide nanosensors with molecular resolution Nano Res. 7 2014 945 952
-
(2014)
Nano Res.
, vol.7
, pp. 945-952
-
-
Osborn, T.H.1
Farajian, A.2
-
39
-
-
84896321769
-
Gas adsorption on silicene: A theoretical study
-
J. Feng, Y. Liu, H. Wang, J. Zhao, Q. Cai, and X. Wang Gas adsorption on silicene: a theoretical study Comput. Mater. Sci. 87 2014 218 226
-
(2014)
Comput. Mater. Sci.
, vol.87
, pp. 218-226
-
-
Feng, J.1
Liu, Y.2
Wang, H.3
Zhao, J.4
Cai, Q.5
Wang, X.6
|