-
1
-
-
7444220645
-
Elastic field effect in atomically thin carbon films
-
K. Novoselov, A. Geim, S. Morozov, D. Jiang, Y. Zhang, S. Dubonos, I. Grigorieva, and A. Firsov, Elastic Field Effect in Atomically Thin Carbon Films, Science, vol. 306, pp. 666, 2004.
-
(2004)
Science
, vol.306
, pp. 666
-
-
Novoselov, K.1
Geim, A.2
Morozov, S.3
Jiang, D.4
Zhang, Y.5
Dubonos, S.6
Grigorieva, I.7
Firsov, A.8
-
2
-
-
77950412204
-
Vibronics and plasmonics based graphene sensores
-
N. Rangel and J. Seminario, Vibronics and Plasmonics Based Graphene Sensores, J. Chem. Phys., vol. 132, pp. 125102, 2010.
-
(2010)
J. Chem Phys
, vol.132
, pp. 125102
-
-
Rangel, N.1
Seminario, J.2
-
3
-
-
59949098337
-
The electronic properties of geraphene
-
A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, The Electronic Properties of Geraphene, Rev. Mod. Phys., vol. 81, pp. 109, 2009.
-
(2009)
Rev. Mod. Phys
, vol.81
, pp. 109
-
-
Castro Neto, A.H.1
Guinea, F.2
Peres, N.M.R.3
Novoselov, K.S.4
Geim, A.K.5
-
4
-
-
36849020967
-
Electronic properties of graphene
-
K. Novoselov, S. Morozov, T. Mohinddin, L. Ponomarenko, D. Elias, R. Yang, I. Barbolina, P. Blake, T. Booth, and D. Jiang, Electronic Properties of Graphene, Phys. Status Solidi (B), vol. 244, pp. 4106, 2007.
-
(2007)
Phys. Status Solidi (B)
, vol.244
, pp. 4106
-
-
Novoselov, K.1
Morozov, S.2
Mohinddin, T.3
Ponomarenko, L.4
Elias, D.5
Yang, R.6
Barbolina, I.7
Blake, P.8
Booth, T.9
Jiang, D.10
-
6
-
-
77949353337
-
The Response of mechanical and electroniv properties of geraphene to the elastic strain
-
M. Topsakal, S. Cahangirov, and S. Ciraci, The Response of Mechanical and Electroniv Properties of Geraphene to the Elastic Strain, Appl. Phys. Lett., vol. 96, pp. 091912, 2010.
-
(2010)
Appl. Phys. Lett
, vol.96
, pp. 091912
-
-
Topsakal, M.1
Cahangirov, S.2
Ciraci, S.3
-
7
-
-
47749150628
-
Measurement of the elastic properties and intrinsic strength of monolayer graphene
-
C. Lee, X. Wei, J. W. Kysar, and J. Hone, Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene, Science, vol. 321, pp. 385, 2008.
-
(2008)
Science
, vol.321
, pp. 385
-
-
Lee, C.1
Wei, X.2
Kysar, J.W.3
Hone, J.4
-
8
-
-
71649103143
-
A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene
-
Q. Pei, Y. Zhang, and V. Shenoy, A Molecular Dynamics Study of The Mechanical Properties of Hydrogen Functionalized Graphene, Carbon, vol. 48, pp. 898, 2010.
-
(2010)
Carbon
, vol.48
, pp. 898
-
-
Pei, Q.1
Zhang, Y.2
Shenoy, V.3
-
9
-
-
79961026874
-
Mechanical properties of bilayer graphene sheets coupled by sp3 bonding
-
Y. Zhang, C. Wang, Y. Cheng, and Y. Xiang, Mechanical Properties of Bilayer Graphene Sheets Coupled by sp3 Bonding, Carbon, vol. 49, pp. 4511, 2011.
-
(2011)
Carbon
, vol.49
, pp. 4511
-
-
Zhang, Y.1
Wang, C.2
Cheng, Y.3
Xiang, Y.4
-
11
-
-
68949172358
-
Atomistic simulation of mechanical properties of graphene nanoribbons
-
H. Bu, Y. Chen, M. Zou, H. Yi, K. Bi, and Z. Ni, Atomistic Simulation of Mechanical Properties of Graphene Nanoribbons, Phys. Lett. A, vol. 373, pp. 3359, 2009.
-
(2009)
Phys. Lett. A
, vol.373
, pp. 3359
-
-
Bu, H.1
Chen, Y.2
Zou, M.3
Yi, H.4
Bi, K.5
Ni, Z.6
-
12
-
-
80051520870
-
Structural mechanical and electronic properties of defect-patterned graphene nanomeshes from first principles
-
H. Sahin and S. Ciraci, Structural, Mechanical and Electronic Properties of Defect-Patterned Graphene Nanomeshes from First Principles, Phys. Rev. B, vol. 84, pp. 035452, 2011.
-
(2011)
Phys. Rev. B
, vol.84
, pp. 035452
-
-
Sahin, H.1
Ciraci, S.2
-
13
-
-
82655178825
-
Monte carlo simulation of temperature-dependent elastic properties of graphene
-
S. Chen and D. C. Chrzan, Monte Carlo Simulation of Temperature-Dependent Elastic Properties of Graphene, Phys. Rev. B, vol. 84, pp. 195409, 2011.
-
(2011)
Phys. Rev. B
, vol.84
, pp. 195409
-
-
Chen, S.1
Chrzan, D.C.2
-
14
-
-
70350602232
-
Young's modules of graphene : A molecular dynamics study
-
J.-W. Jiang, J.-S. Wang, and B. Li, Young's Modules of Graphene : A Molecular Dynamics Study, Phys. Rev. B, vol. 80, pp. 113405, 2009.
-
(2009)
Phys. Rev. B
, vol.80
, pp. 113405
-
-
Jiang, J.-W.1
Wang, J.-S.2
Li, B.3
-
15
-
-
58149161536
-
Bending properties of single functionalized graphene sheets
-
H. C. Schniepp, K. N. Kudin, J.-L. Li, R. K. Prud'homme, R. Car, D. A. Saville, and I. A. Aksay, Bending Properties of Single Functionalized Graphene Sheets, ACS Nano, vol. 2, pp. 2577-2584, 2008.
-
(2008)
ACS Nano
, vol.2
, pp. 2577-2584
-
-
Schniepp, H.C.1
Kudin, K.N.2
Li, J.-L.3
Prud'Homme, R.K.4
Car, R.5
Saville, D.A.6
Aksay, I.A.7
-
16
-
-
33846920064
-
Coupled quantum mechanical/molecular mechanical modeling modeling of the fracture of defective carbon nanotubes and graphene sheets
-
R. Khare, S. L. Mielke, J. T. Paci, S. Zhang, R. Ballarini, G. C. Schatz, and T. Belytschko1, Coupled Quantum Mechanical/Molecular Mechanical Modeling Modeling of the fracture of Defective Carbon Nanotubes and Graphene Sheets, Phys. Rev. B, vol. 75, pp. 075412, 2007.
-
(2007)
Phys. Rev. B
, vol.75
, pp. 075412
-
-
Khare, R.1
Mielke, S.L.2
Paci, J.T.3
Zhang, S.4
Ballarini, R.5
Schatz, G.C.6
Belytschko, T.7
-
17
-
-
77950940256
-
Mechanical properties of graphene cantilever from atomic force microscopy and density funcionl theory
-
R. Rasuli, A. Iraji zad, and M. M. Ahadian, Mechanical Properties of Graphene Cantilever from Atomic Force Microscopy and Density Funcionl Theory, Nanotechnology, vol. 21, pp. 185503, 2010.
-
(2010)
Nanotechnology
, vol.21
, pp. 185503
-
-
Rasuli, R.1
Irajizad, A.2
Ahadian, M.M.3
-
18
-
-
77957598730
-
Density functional perturbation theory for quasi-harmonic calculations
-
S. Baroni, P. Giannozzi, and E. Isaev, Density Functional Perturbation Theory for Quasi-Harmonic Calculations, Rev. Mineral. Geochem., vol. 71, pp. 39, 2010.
-
(2010)
Rev. Mineral. Geochem
, vol.71
, pp. 39
-
-
Baroni, S.1
Giannozzi, P.2
Isaev, E.3
-
19
-
-
43049128533
-
Density functional theory for hydrogen storage materials : Successes and opportunities
-
L. G. Hector, Jr. and J. F. Herbst, Density Functional Theory for Hydrogen Storage Materials : Successes and Opportunities, J. Phys. Conden. Matt., vol. 20, pp. 064229, 2008.
-
(2008)
J. Phys. Conden. Matt
, vol.20
, pp. 064229
-
-
Hector Jr., L.G.1
Herbst, J.F.2
-
20
-
-
38849141530
-
Prediction of dislocation cores in aluminum from density functional theory
-
C. Woodward, D. Trinkle, L. G. Hector, Jr., and D. L. Olmsted, Prediction of Dislocation Cores in Aluminum from Density Functional Theory, Phys. Rev. Lett., vol. 100, pp. 045507, 2008.
-
(2008)
Phys. Rev. Lett
, vol.100
, pp. 045507
-
-
Woodward, C.1
Trinkle, D.2
Hector Jr., L.G.3
Olmsted, D.L.4
-
21
-
-
77953139537
-
Threefold increase in the young's modulus of graphite negative electrode during lithium intercalation
-
Y. Qi, H. Guo, L. G. Hector, Jr., and A. Timmons, Threefold Increase in the Young's Modulus of Graphite Negative Electrode During Lithium Intercalation, J. Electrochemical Society, vol. 157, pp. A558-A566, 2010.
-
(2010)
J. Electrochemical Society
, vol.157
-
-
Qi, Y.1
Guo, H.2
Hector Jr., L.G.3
Timmons, A.4
-
22
-
-
67650293024
-
Structural discrimination via density functional theory and lattice dynamics
-
J. F. Herbst and L. G. Hector, Jr., Structural Discrimination Via Density Functional Theory and Lattice Dynamics, Phys. Rev. B, vol. 79, pp. 155113-155119, 2009.
-
(2009)
Phys. Rev. B
, vol.79
, pp. 155113-155119
-
-
Herbst, J.F.1
Hector Jr., L.G.2
-
24
-
-
84864540697
-
-
John Wiley & Sons, Inc., Hoboken, NJ
-
D. S. Sholl and J. A. Steckel, Density Functional Theory: A Practical Introduction, John Wiley & Sons, Inc., Hoboken, NJ, 2009.
-
(2009)
Density Functional Theory: A Practical Introduction
-
-
Sholl, D.S.1
Steckel, J.A.2
-
25
-
-
0037439701
-
Oxygen adosorption on graphite and nanotubes
-
P. Giannozzi, R. Car, and G. Scoles, Oxygen Adosorption on Graphite and Nanotubes, J. Chem. Phys., vol. 118, pp. 1003-1006, 2003.
-
(2003)
J. Chem. Phys
, vol.118
, pp. 1003-1006
-
-
Giannozzi, P.1
Car, R.2
Scoles, G.3
-
26
-
-
0000819359
-
Potentials of physical adsorption
-
G. Vidali, G. Ihm, Y.-J. Kim, and M. W. Cole, Potentials of Physical Adsorption, Surf. Sci. Rep., vol. 12, pp. 135, 1991.
-
(1991)
Surf. Sci. Rep
, vol.12
, pp. 135
-
-
Vidali, G.1
Ihm, G.2
Kim, Y.-J.3
Cole, M.W.4
-
27
-
-
4243943295
-
Generalized gradient approximation mode shape
-
J. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Mode Shape, Phys. Rev. Lett., vol. 77, pp. 3865, 1996.
-
(1996)
Phys Rev Lett
, vol.77
, pp. 3865
-
-
Perdew, J.1
Burke, K.2
Ernzerhof, M.3
-
28
-
-
2842565972
-
Generalized gradient apporoximation for the exchange-correlation hole of a many electron system
-
J. Perdew, K. Burke, and Y. Wang, Generalized Gradient Apporoximation for the Exchange-Correlation Hole of a Many Electron System, Phys. Rev. B, vol. 54, pp. 16533, 1996.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 16533
-
-
Perdew, J.1
Burke, K.2
Wang, Y.3
-
29
-
-
1842816907
-
Special points for brillouin-zone integrations
-
H. J. Monkhorst and J. D. Pack, Special Points for Brillouin-Zone Integrations, Phys. Rev. B, vol. 13, pp. 5188, 1976.
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
30
-
-
84874038647
-
-
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, and A. Pasquarello, Code available from http://www.quantum-espresso.org
-
Code
-
-
Baroni, S.1
Dal Corso, A.2
De Gironcoli, S.3
Giannozzi, P.4
Cavazzoni, C.5
Ballabio, G.6
Scandolo, S.7
Chiarotti, G.8
Focher, P.9
Pasquarello, A.10
-
31
-
-
80655146782
-
Thermodynamics and mechanical properties of lanthanum-magnesium phases from density functional theory
-
J. Wr?el, L. Hector, W. Wolf, S. Shang, Z. Liu, and K. Kurzydłowski, Thermodynamics and Mechanical Properties of Lanthanum-Magnesium Phases from Density Functional Theory, J. Alloys Cmpds., vol. 512, pp. 296-310, 2011.
-
(2011)
J. Alloys Cmpds
, vol.512
, pp. 296-310
-
-
Wrel, J.1
Hector, L.2
Wolf, W.3
Shang, S.4
Liu, Z.5
Kurzydłowski, K.6
-
32
-
-
4243300455
-
Temperature-dependent surface relaxations of Ag(111)
-
J. Xie, S. de Gironcoli, S. Baroni, and M. Scheffler, Temperature-Dependent Surface Relaxations of Ag(111), Phys. Rev. B, vol. 59, pp. 965, 1999.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 965
-
-
Xie, J.1
De Gironcoli, S.2
Baroni, S.3
Scheffler, M.4
-
33
-
-
67649363686
-
Enthalpies of formation of magnesium copounds from first-principles calculations
-
H. Zhang, S. Shang, J. E. Saal, A. Saengdeejing, Y. Wang, L. Q. Chen, and Z. K. Liu, Enthalpies of Formation of Magnesium Copounds from First-Principles Calculations, Intermetallics, vol. 17, pp. 878, 2009.
-
(2009)
Intermetallics
, vol.17
, pp. 878
-
-
Zhang, H.1
Shang, S.2
Saal, J.E.3
Saengdeejing, A.4
Wang, Y.5
Chen, L.Q.6
Liu, Z.K.7
-
34
-
-
33745020394
-
Electronic structure and energetic of the quaternary hydride
-
J. Herbst and L. Hector Jr, Electronic Structure and Energetic of the Quaternary Hydride, Appl. Phys. Lett., vol. 88, pp. 231904, 2006.
-
(2006)
Appl. Phys. Lett
, vol.88
, pp. 231904
-
-
Herbst, J.1
Hector Jr., L.2
-
35
-
-
33846433756
-
First principles study of the young's modulus of Si Nanowires
-
B. Lee and R. E. Rudd, First Principles Study of the Young's Modulus of Si Nanowires, Phys. Rev. B, vol. 75, 041305, 2007.
-
(2007)
Phys. Rev. B
, vol.75
, pp. 041305
-
-
Lee, B.1
Rudd, R.E.2
-
36
-
-
33846349204
-
Raman scattering from high-frequency phonons in supported n-graphene layer films
-
A. Gupta, G. Chen, P. Joshi, S. Tadigadapa, and P. Eklund, Raman Scattering from High-Frequency Phonons in Supported n-Graphene Layer Films, Nano Lett., vol. 6, pp. 2667, 2006.
-
(2006)
Nano Lett
, vol.6
, pp. 2667
-
-
Gupta, A.1
Chen, G.2
Joshi, P.3
Tadigadapa, S.4
Eklund, P.5
|