-
1
-
-
80052454763
-
A Density-Functional Theory Investigation of the Electronic Structure of the Active Carbon Graphite-like and Amorphous Domains
-
Khavryuchenko, O. V.; Khavryuchenko, V. D.; Lisnyak, V. V.; Peslherbe, G. H. A Density-Functional Theory Investigation of the Electronic Structure of the Active Carbon Graphite-like and Amorphous Domains Chem. Phys. Lett. 2011, 513, 261-266
-
(2011)
Chem. Phys. Lett.
, vol.513
, pp. 261-266
-
-
Khavryuchenko, O.V.1
Khavryuchenko, V.D.2
Lisnyak, V.V.3
Peslherbe, G.H.4
-
3
-
-
0342819025
-
Helical Microtubules of Graphitic Carbon
-
Iijima, S. Helical Microtubules of Graphitic Carbon Nature 1991, 354, 56-58
-
(1991)
Nature
, vol.354
, pp. 56-58
-
-
Iijima, S.1
-
4
-
-
7444220645
-
Electric Field Effect in Atomically Thin Carbon Films
-
Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. Electric Field Effect in Atomically Thin Carbon Films Science 2004, 306, 666-669
-
(2004)
Science
, vol.306
, pp. 666-669
-
-
Novoselov, K.S.1
Geim, A.K.2
Morozov, S.V.3
Jiang, D.4
Zhang, Y.5
Dubonos, S.V.6
Grigorieva, I.V.7
Firsov, A.A.8
-
5
-
-
59949098337
-
The Electronic Properties of Graphene
-
Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.; Novoselov, K. S.; Geim, A. K. The Electronic Properties of Graphene Rev. Mod. Phys. 2009, 81, 109-161
-
(2009)
Rev. Mod. Phys.
, vol.81
, pp. 109-161
-
-
Castro Neto, A.H.1
Guinea, F.2
Peres, N.M.R.3
Novoselov, K.S.4
Geim, A.K.5
-
6
-
-
34447503948
-
Modulation of Structural and Electronic Properties of Fullerene and Metallofullerenes by Surface Chemical Modifications
-
Tang, J.; Xing, G. M.; Zhao, F.; Yuan, H.; Zhao, Y. L. Modulation of Structural and Electronic Properties of Fullerene and Metallofullerenes by Surface Chemical Modifications J. Nanosci. Nanotechnol. 2007, 7, 1085-1101
-
(2007)
J. Nanosci. Nanotechnol.
, vol.7
, pp. 1085-1101
-
-
Tang, J.1
Xing, G.M.2
Zhao, F.3
Yuan, H.4
Zhao, Y.L.5
-
7
-
-
70349568757
-
Chemical Vapour Deposition Synthetic Diamond: Materials, Technology and Applications
-
Balmer, R. S.; Brandon, J. R.; Clewes, S. L.; Dhillon, V.; Dodson, J. M.; Friel, I.; Inglis, P. N.; Madgwick, T. D.; Markham, M. L.; Mollart, T. P.; Perkins, N.; Scarsbrook, G. A.; Twitchen, D. J.; Whitehead, A. J.; Wilman, J. J.; Woollard, S. M. Chemical Vapour Deposition Synthetic Diamond: Materials, Technology and Applications J. Phys.: Condens. Matter 2009, 21, 364221-364244
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 364221-364244
-
-
Balmer, R.S.1
Brandon, J.R.2
Clewes, S.L.3
Dhillon, V.4
Dodson, J.M.5
Friel, I.6
Inglis, P.N.7
Madgwick, T.D.8
Markham, M.L.9
Mollart, T.P.10
Perkins, N.11
Scarsbrook, G.A.12
Twitchen, D.J.13
Whitehead, A.J.14
Wilman, J.J.15
Woollard, S.M.16
-
8
-
-
72649097714
-
Synthesis, Structure, and Properties of Single-walled Carbon Nanotubes
-
Zhou, W.; Bai, X.; Wang, E.; Xie, S. Synthesis, Structure, and Properties of Single-walled Carbon Nanotubes Adv. Mater. 2009, 21, 4565-4583
-
(2009)
Adv. Mater.
, vol.21
, pp. 4565-4583
-
-
Zhou, W.1
Bai, X.2
Wang, E.3
Xie, S.4
-
9
-
-
79959788241
-
Graphene-based Materials: Synthesis, Characterization, Properties, and Applications
-
Huang, X.; Yin, Z.; Wu, S.; Qi, X.; He, Q.; Zhang, Q.; Yan, Q.; Boey, F.; Zhang, H. Graphene-based Materials: Synthesis, Characterization, Properties, and Applications Small 2011, 7, 1876-1902
-
(2011)
Small
, vol.7
, pp. 1876-1902
-
-
Huang, X.1
Yin, Z.2
Wu, S.3
Qi, X.4
He, Q.5
Zhang, Q.6
Yan, Q.7
Boey, F.8
Zhang, H.9
-
10
-
-
79952984383
-
A Review on the Mechanical and Electrical Properties of Graphite and Modified Graphite Reinforced Polymer Composites
-
Sengupta, R.; Bhattacharya, M.; Bandyopadhyay, S.; Bhowmick, A. K. A Review on the Mechanical and Electrical Properties of Graphite and Modified Graphite Reinforced Polymer Composites Prog. Polym. Sci. 2011, 36, 638-670
-
(2011)
Prog. Polym. Sci.
, vol.36
, pp. 638-670
-
-
Sengupta, R.1
Bhattacharya, M.2
Bandyopadhyay, S.3
Bhowmick, A.K.4
-
12
-
-
0028878521
-
"Carbomers". I. A General Concept of Expanded Molecules
-
Chauvin, R. "Carbomers". I. A General Concept of Expanded Molecules Tetrahedron Lett. 1995, 36, 397-400
-
(1995)
Tetrahedron Lett.
, vol.36
, pp. 397-400
-
-
Chauvin, R.1
-
13
-
-
33846239347
-
From Macrocyclic Oligo-acetylenes to Aromatic Ring Carbo -mers
-
Maraval, V.; Chauvin, R. From Macrocyclic Oligo-acetylenes to Aromatic Ring Carbo -mers Chem. Rev. 2006, 106, 5317-5343
-
(2006)
Chem. Rev.
, vol.106
, pp. 5317-5343
-
-
Maraval, V.1
Chauvin, R.2
-
14
-
-
35748951879
-
Carbo -mers: From Skeleton to Function
-
Maraval, V.; Chauvin, R. Carbo -mers: from Skeleton to Function New J. Chem. 2007, 31, 1853-1873
-
(2007)
New J. Chem.
, vol.31
, pp. 1853-1873
-
-
Maraval, V.1
Chauvin, R.2
-
15
-
-
33750493294
-
Building Symmetric Two-Dimensional Two-Photon Materials
-
Bhaskar, A.; Guda, R.; Haley, M. M.; Goodson, T., III Building Symmetric Two-Dimensional Two-Photon Materials J. Am. Chem. Soc. 2006, 128, 13972-13973
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 13972-13973
-
-
Bhaskar, A.1
Guda, R.2
Haley, M.M.3
Goodson III, T.4
-
16
-
-
38049000951
-
Two-Photon Absorption Properties of Dehydrobenzo[12]annulenes and Hexakis(phenylethynyl)benzenes: Effect of Edge-Linkage
-
Kamada, K.; Antonov, L.; Yamada, S.; Ohta, K.; Yoshimura, T.; Tahara, K.; Inaba, A.; Sonoda, M.; Tobe, Y. Two-Photon Absorption Properties of Dehydrobenzo[12]annulenes and Hexakis(phenylethynyl)benzenes: Effect of Edge-Linkage ChemPhysChem 2007, 8, 2671-2677
-
(2007)
ChemPhysChem
, vol.8
, pp. 2671-2677
-
-
Kamada, K.1
Antonov, L.2
Yamada, S.3
Ohta, K.4
Yoshimura, T.5
Tahara, K.6
Inaba, A.7
Sonoda, M.8
Tobe, Y.9
-
17
-
-
0031007781
-
Carbon Networks Based on Dehydrobenzoannulenes: Synthesis of Graphdiyne Substructures
-
Haley, M. M.; Brand, S. C.; Pak, J. J. Carbon Networks Based on Dehydrobenzoannulenes: Synthesis of Graphdiyne Substructures Angew. Chem., Int. Ed. Engl. 1997, 36, 836-838
-
(1997)
Angew. Chem., Int. Ed. Engl.
, vol.36
, pp. 836-838
-
-
Haley, M.M.1
Brand, S.C.2
Pak, J.J.3
-
18
-
-
77952000803
-
Architecture of Graphdiyne Nanoscale Films
-
Li, G. X.; Li, Y. L.; Liu, H. B.; Guo, Y. B.; Li, Y. J.; Zhu, D. B. Architecture of Graphdiyne Nanoscale Films Chem. Commun. 2010, 46, 3256-3258
-
(2010)
Chem. Commun.
, vol.46
, pp. 3256-3258
-
-
Li, G.X.1
Li, Y.L.2
Liu, H.B.3
Guo, Y.B.4
Li, Y.J.5
Zhu, D.B.6
-
19
-
-
79955457043
-
Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions
-
Long, M.; Tang, L.; Wang, D.; Li, Y.; Shuai, Z. Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions ACS Nano 2011, 5, 2593-2600
-
(2011)
ACS Nano
, vol.5
, pp. 2593-2600
-
-
Long, M.1
Tang, L.2
Wang, D.3
Li, Y.4
Shuai, Z.5
-
20
-
-
84867007526
-
Graphyne: Hexagonal Network of Carbon with Versatile Dirac Cones
-
Kim, B. G.; Choi, H. J. Graphyne: Hexagonal Network of Carbon with Versatile Dirac Cones Phys. Rev. B 2012, 86, 115435/1-115435/5
-
(2012)
Phys. Rev. B
, vol.86
-
-
Kim, B.G.1
Choi, H.J.2
-
22
-
-
84857806013
-
From Hexaoxy-[6]Pericyclynes to Carbo -Cyclohexadienes, Carbo -Benzenes, and Dihydro- Carbo -Benzenes: Synthesis, Structure, and Chromophoric and Redox Properties
-
Leroyer, L.; Lepetit, C.; Rives, A.; Maraval, V.; Saffon-Merceron, N.; Kandaskalov, D.; Kieffer, D.; Chauvin, R. From Hexaoxy-[6]Pericyclynes to Carbo -Cyclohexadienes, Carbo -Benzenes, and Dihydro- Carbo -Benzenes: Synthesis, Structure, and Chromophoric and Redox Properties Chem.-Eur. J. 2012, 18, 3226-3240
-
(2012)
Chem. - Eur. J.
, vol.18
, pp. 3226-3240
-
-
Leroyer, L.1
Lepetit, C.2
Rives, A.3
Maraval, V.4
Saffon-Merceron, N.5
Kandaskalov, D.6
Kieffer, D.7
Chauvin, R.8
-
23
-
-
84864724481
-
Highly π Electron-rich Macro-aromatics: Bis(p-aminophenyl)- Carbo -benzenes and their DBA Acyclic References
-
Rives, A.; Baglai, I.; Malytskyi, V.; Maraval, V.; Saffon-Merceron, N.; Voitenko, Z.; Chauvin, R. Highly π Electron-rich Macro-aromatics: Bis(p-aminophenyl)- Carbo -benzenes and their DBA Acyclic References Chem. Commun. 2012, 48, 8763-8765
-
(2012)
Chem. Commun.
, vol.48
, pp. 8763-8765
-
-
Rives, A.1
Baglai, I.2
Malytskyi, V.3
Maraval, V.4
Saffon-Merceron, N.5
Voitenko, Z.6
Chauvin, R.7
-
24
-
-
84883259812
-
Enhanced π -frustration in Carbo -Benzenic Chromophores
-
Baglai, I.; Maraval, V.; Saffon-Merceron, N.; Bijani, C.; Voitenko, Z.; Volovenko, Y.; Chauvin, R. Enhanced π -frustration in Carbo -Benzenic Chromophores Chem. Commun. 2013, 8474-8477
-
(2013)
Chem. Commun.
, pp. 8474-8477
-
-
Baglai, I.1
Maraval, V.2
Saffon-Merceron, N.3
Bijani, C.4
Voitenko, Z.5
Volovenko, Y.6
Chauvin, R.7
-
25
-
-
3342909974
-
Families of Carbon Nanotubes: Graphyne-based Nanotubes
-
Coluci, V. R.; Braga, S. F.; Legoas, S. B.; Galvao, D. S.; Baughman, R. H. Families of Carbon Nanotubes: Graphyne-based Nanotubes Phys. Rev. B 2003, 68, 035430/1-035430/6
-
(2003)
Phys. Rev. B
, vol.68
-
-
Coluci, V.R.1
Braga, S.F.2
Legoas, S.B.3
Galvao, D.S.4
Baughman, R.H.5
-
26
-
-
33747492297
-
Total Carbo -mer of Benzene, Its Carbo -Trannulene Form, and the Zigzag Nanotube Thereof
-
Lepetit, C.; Zou, C.; Chauvin, R. Total Carbo -mer of Benzene, Its Carbo -Trannulene Form, and the Zigzag Nanotube Thereof J. Org. Chem. 2006, 71, 6317-6324
-
(2006)
J. Org. Chem.
, vol.71
, pp. 6317-6324
-
-
Lepetit, C.1
Zou, C.2
Chauvin, R.3
-
27
-
-
79952312032
-
A Computational Prediction of Total Carbo -merization on Single-walled Carbon Nanotubes
-
Liu, W.; Li, Y.; Huang, Y. A Computational Prediction of Total Carbo -merization on Single-walled Carbon Nanotubes J. Phys. Chem. Solids 2011, 72, 299-306
-
(2011)
J. Phys. Chem. Solids
, vol.72
, pp. 299-306
-
-
Liu, W.1
Li, Y.2
Huang, Y.3
-
28
-
-
5444246474
-
Structural and Electronic Properties of New α-Graphyne-based Carbon Fullerenes
-
Enyahin, A. N.; Sofronov, A. A.; Makurin, Y. N.; Ivanovskii, A. N. Structural and Electronic Properties of New α-Graphyne-based Carbon Fullerenes J. Mol. Struct. (Theochem) 2004, 684, 29-33
-
(2004)
J. Mol. Struct. (Theochem)
, vol.684
, pp. 29-33
-
-
Enyahin, A.N.1
Sofronov, A.A.2
Makurin, Y.N.3
Ivanovskii, A.N.4
-
29
-
-
84865457508
-
The Roles of π Electrons in the Electronic Structures and Optical Properties of Graphyne
-
He, X. J.; Tan, J.; Bu, H. X.; Zhang, H. Y.; Zhao, M. W. The Roles of π Electrons in the Electronic Structures and Optical Properties of Graphyne Chin. Sci. Bull. 2012, 57, 3080-3085
-
(2012)
Chin. Sci. Bull.
, vol.57
, pp. 3080-3085
-
-
He, X.J.1
Tan, J.2
Bu, H.X.3
Zhang, H.Y.4
Zhao, M.W.5
-
30
-
-
79955570624
-
2 Hybridized Carbon Network: The Case of Graphyne
-
2 Hybridized Carbon Network: The Case of Graphyne J. Phys. Chem C 2011, 115, 8845-8850
-
(2011)
J. Phys. Chem C
, vol.115
, pp. 8845-8850
-
-
Zhang, H.1
Zhao, M.2
He, X.3
Wang, Z.4
Zhang, X.5
Liu, X.6
-
31
-
-
77957555812
-
Higher-Accuracy Van der Waals Density Functional
-
Lee, K.; Murray, E. D.; Kong, L.; Lundqvist, B. I.; Langreth, D. C. Higher-Accuracy Van der Waals Density Functional Phys. Rev. B 2010, 82, 081101/1-081101/4
-
(2010)
Phys. Rev. B
, vol.82
-
-
Lee, K.1
Murray, E.D.2
Kong, L.3
Lundqvist, B.I.4
Langreth, D.C.5
-
32
-
-
70349568754
-
Quantum espresso: A Modular and Open-source Software Project for Quantum Simulations of Materials
-
Giannozzi, P.; Baroni, S.; Bonini, B.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I.; Dal Corso, A.; de Gironcoli, S.; Fabris, S.; Fratesi, G.; Gebauer, R.; Gerstmann, U.; Gougoussis, C.; Kokalj, A.; Lazzeri, M.; Martin-Samos, L.; Marzari, N.; Mauri, F.; Mazzarello, R.; Paolini, S.; Pasquarello, A.; Paulatto, L.; Sbraccia, C.; Scandolo, S.; Sclauzero, G.; Seitsonen, A. P.; Smogunov, A.; Umari, P.; Wentzcovitch, R. M. QUANTUM ESPRESSO: a Modular and Open-source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502/1-395502/19
-
(2009)
J. Phys.: Condens. Matter
, vol.21
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, B.3
Calandra, M.4
Car, R.5
Cavazzoni, C.6
Ceresoli, D.7
Chiarotti, G.L.8
Cococcioni, M.9
Dabo, I.10
Dal Corso, A.11
De Gironcoli, S.12
Fabris, S.13
Fratesi, G.14
Gebauer, R.15
Gerstmann, U.16
Gougoussis, C.17
Kokalj, A.18
Lazzeri, M.19
Martin-Samos, L.20
Marzari, N.21
Mauri, F.22
Mazzarello, R.23
Paolini, S.24
Pasquarello, A.25
Paulatto, L.26
Sbraccia, C.27
Scandolo, S.28
Sclauzero, G.29
Seitsonen, A.P.30
Smogunov, A.31
Umari, P.32
Wentzcovitch, R.M.33
more..
-
33
-
-
77955383468
-
Van der Waals Density Functional: An Appropriate Exchange Functional
-
Cooper, V. R. Van der Waals Density Functional: An Appropriate Exchange Functional Phys. Rev. B 2010, 81, 161104/1-161104/4
-
(2010)
Phys. Rev. B
, vol.81
-
-
Cooper, V.R.1
-
34
-
-
25744460922
-
Projected Augmented-wave Method
-
Blöchl, P. E. Projected Augmented-wave Method Phys. Rev. B 1994, 50, 17953-17979
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blöchl, P.E.1
-
35
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
36
-
-
84886644461
-
-
(accessed October 12, 2013)
-
http://qe-forge.org/gf/project/pslibrary/ (accessed October 12, 2013).
-
-
-
-
39
-
-
60249083293
-
Novel Method for Determining Stacking Disorder Degree in Hexagonal Graphite by X-ray Diffraction
-
Li, H.; Yang, C. Z.; Liu, F. Novel Method for Determining Stacking Disorder Degree in Hexagonal Graphite by X-ray Diffraction Sci. China Ser. B: Chem. 2009, 52, 174-180
-
(2009)
Sci. China Ser. B: Chem.
, vol.52
, pp. 174-180
-
-
Li, H.1
Yang, C.Z.2
Liu, F.3
-
40
-
-
42749102313
-
Interlayer Cohesive Energy of Graphite from Thermal Desorption of Polyaromatic Hydrocarbons
-
Zacharia, R.; Ulbricht, H.; Hertel, T. Interlayer Cohesive Energy of Graphite from Thermal Desorption of Polyaromatic Hydrocarbons Phys. Rev. B 2004, 69, 155406/1-155406/7
-
(2004)
Phys. Rev. B
, vol.69
-
-
Zacharia, R.1
Ulbricht, H.2
Hertel, T.3
-
41
-
-
70450064260
-
Nature and Strength of Interlayer Binding in Graphite
-
Spanu, L.; Sorella, S.; Galli, G. Nature and Strength of Interlayer Binding in Graphite Phys. Rev. Lett. 2009, 103, 196401/1-196401/4
-
(2009)
Phys. Rev. Lett.
, vol.103
-
-
Spanu, L.1
Sorella, S.2
Galli, G.3
-
42
-
-
84879636913
-
Structural, Electronic, and Optical Properties of Bulk Graphdiyne
-
Luo, G.; Zheng, Q.; Mei, W.-N.; Lu, J.; Nagase, S. Structural, Electronic, and Optical Properties of Bulk Graphdiyne J. Phys. Chem. C 2013, 117, 13072-13079
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 13072-13079
-
-
Luo, G.1
Zheng, Q.2
Mei, W.-N.3
Lu, J.4
Nagase, S.5
-
43
-
-
34548217701
-
Noncovalent Interactions between Graphene Sheets and in Multishell (Hyper)Fullerenes
-
Grimme, S.; Mück-Lichtenfeld, C.; Antony, J. Noncovalent Interactions between Graphene Sheets and in Multishell (Hyper)Fullerenes J. Phys. Chem. C 2007, 111, 11199-11207
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 11199-11207
-
-
Grimme, S.1
Mück-Lichtenfeld, C.2
Antony, J.3
-
44
-
-
84863525008
-
Magnetic and Electronic Properties of α-Graphyne Nanoribbons
-
Yue, Q.; Chang, S.; Kang, J.; Tan, J.; Qin, S.; Li, J. Magnetic and Electronic Properties of α-Graphyne Nanoribbons J. Chem. Phys. 2012, 136, 244702-244706
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 244702-244706
-
-
Yue, Q.1
Chang, S.2
Kang, J.3
Tan, J.4
Qin, S.5
Li, J.6
-
45
-
-
84870483863
-
Communication: Oscillated Band Gaps of B/N-codoped α-Graphyne
-
Deng, X.; Si, M.; Dai, J. Communication: Oscillated Band Gaps of B/N-codoped α-Graphyne J. Chem. Phys. 2012, 137, 201101-201105
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 201101-201105
-
-
Deng, X.1
Si, M.2
Dai, J.3
-
46
-
-
0034667048
-
Electronic Structure of Three-dimensional Graphyne
-
Narita, N.; Nagai, S.; Suzuki, S.; Nakao, K. Electronic Structure of Three-dimensional Graphyne Phys. Rev. B 2000, 62, 11146-11151
-
(2000)
Phys. Rev. B
, vol.62
, pp. 11146-11151
-
-
Narita, N.1
Nagai, S.2
Suzuki, S.3
Nakao, K.4
-
47
-
-
84880536456
-
Mechanical and Electronic Properties of Graphyne and Its Family under Elastic Strain: Theoretical Predictions
-
Yue, Q.; Chang, S.; Kang, J.; Qin, S.; Li, J. Mechanical and Electronic Properties of Graphyne and Its Family under Elastic Strain: Theoretical Predictions J. Phys. Chem. C 2013, 117, 14804-14811
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 14804-14811
-
-
Yue, Q.1
Chang, S.2
Kang, J.3
Qin, S.4
Li, J.5
-
49
-
-
0000946635
-
Optimized Geometries and Electronic Structures of Graphyne and its Family
-
Narita, N.; Nagai, S.; Suzuki, S.; Nakao, K. Optimized Geometries and Electronic Structures of Graphyne and its Family Phys. Rev. B 1998, 58, 11009-11014
-
(1998)
Phys. Rev. B
, vol.58
, pp. 11009-11014
-
-
Narita, N.1
Nagai, S.2
Suzuki, S.3
Nakao, K.4
-
50
-
-
47749150628
-
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
-
Lee, C.; Wei, X.; Kysar, J. W.; Hone, J. Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Science 2008, 321, 385-388
-
(2008)
Science
, vol.321
, pp. 385-388
-
-
Lee, C.1
Wei, X.2
Kysar, J.W.3
Hone, J.4
-
53
-
-
77956922109
-
Thermoelastic Theory of Stressed Crystals and Higher-Order Elastic Constants
-
Wallace, D. C. Thermoelastic Theory of Stressed Crystals and Higher-Order Elastic Constants Solid State Phys. 1970, 25, 301-404
-
(1970)
Solid State Phys.
, vol.25
, pp. 301-404
-
-
Wallace, D.C.1
-
54
-
-
34247575700
-
Elasticity of Single-crystalline Graphite: Inelastic X-ray Scattering Study
-
Bosak, A.; Krisch, M. Elasticity of Single-crystalline Graphite: Inelastic X-ray Scattering Study Phys. Rev. B 2007, 75, 153408/1-153408/4
-
(2007)
Phys. Rev. B
, vol.75
-
-
Bosak, A.1
Krisch, M.2
-
55
-
-
0014824142
-
Elastic Constants of Compression-Annealed Pyrolytic Graphite
-
Blakslee, O. L.; Proctor, D. G.; Seldin, E. J.; Spence, G. B.; Weng, T. Elastic Constants of Compression-Annealed Pyrolytic Graphite J. Appl. Phys. 1970, 41, 3373-3382
-
(1970)
J. Appl. Phys.
, vol.41
, pp. 3373-3382
-
-
Blakslee, O.L.1
Proctor, D.G.2
Seldin, E.J.3
Spence, G.B.4
Weng, T.5
-
56
-
-
80054903620
-
Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet
-
Kang, J.; Li, J.; Wu, F.; Li, S.-S.; Xia, J.-B. Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet J. Phys. Chem. C 2011, 115, 20466-20470
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 20466-20470
-
-
Kang, J.1
Li, J.2
Wu, F.3
Li, S.-S.4
Xia, J.-B.5
-
57
-
-
84866433652
-
Mechanical Properties of Graphyne Monolayers: A First-principles Study
-
Peng, Q.; Ji, W.; De, S. Mechanical Properties of Graphyne Monolayers: a First-principles Study Phys. Chem. Chem. Phys. 2012, 14, 13385-13391
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 13385-13391
-
-
Peng, Q.1
Ji, W.2
De, S.3
-
58
-
-
84870167520
-
Temperature Dependent Elastic Constants and Ultimate Strength of Graphene and Graphyne
-
Shao, T.; Wen, B.; Melnik, R.; Yao, S.; Kawazoe, Y.; Tian, Y. Temperature Dependent Elastic Constants and Ultimate Strength of Graphene and Graphyne J. Chem. Phys. 2012, 137, 194901-194909
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 194901-194909
-
-
Shao, T.1
Wen, B.2
Melnik, R.3
Yao, S.4
Kawazoe, Y.5
Tian, Y.6
-
59
-
-
84865506090
-
Mechanical Properties of Graphynes under Tension: A Molecular Dynamics Study
-
Zhang, Y. Y.; Pei, Q. X.; Wang, C. M. Mechanical Properties of Graphynes Under Tension: A Molecular Dynamics Study Appl. Phys. Lett. 2012, 101, 081909-081913
-
(2012)
Appl. Phys. Lett.
, vol.101
, pp. 081909-081913
-
-
Zhang, Y.Y.1
Pei, Q.X.2
Wang, C.M.3
-
60
-
-
84886651050
-
-
(accessed October 12, 2013)
-
http://www.engineeringtoolbox.com/young-modulus-d-417.html (accessed October 12, 2013).
-
-
-
-
61
-
-
84864598095
-
Two-Dimensional Materials with Dirac Cones: Graphynes Containing Heteroatoms
-
Malko, D.; Neiss, C.; Görling, A. Two-Dimensional Materials with Dirac Cones: Graphynes Containing Heteroatoms Phys. Rev. B 2012, 86, 045443/1-045443/6
-
(2012)
Phys. Rev. B
, vol.86
-
-
Malko, D.1
Neiss, C.2
Görling, A.3
-
62
-
-
84857527175
-
Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones
-
Malko, D.; Neiss, C.; Vines, F.; Görling, A. Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones Phys. Rev. Lett. 2012, 108, 086804/1-086804/4
-
(2012)
Phys. Rev. Lett.
, vol.108
-
-
Malko, D.1
Neiss, C.2
Vines, F.3
Görling, A.4
-
63
-
-
57149134822
-
Tight-Binding Description of the Quasiparticle Dispersion of Graphite and Few-layer Graphene
-
Grüneis, A.; Attaccalite, C.; Wirtz, L.; Shiozawa, H.; Saito, R.; Pichler, T.; Rubio, A. Tight-Binding Description of the Quasiparticle Dispersion of Graphite and Few-layer Graphene Phys. Rev. B 2008, 78, 205425/1-205425/16
-
(2008)
Phys. Rev. B
, vol.78
-
-
Grüneis, A.1
Attaccalite, C.2
Wirtz, L.3
Shiozawa, H.4
Saito, R.5
Pichler, T.6
Rubio, A.7
-
64
-
-
0001365402
-
Electronic Properties of Graphite: A Unified Theoretical Study
-
Tatar, R. C.; Rabii, S. Electronic Properties of Graphite: A Unified Theoretical Study Phys. Rev. B 1982, 25, 4126-4141
-
(1982)
Phys. Rev. B
, vol.25
, pp. 4126-4141
-
-
Tatar, R.C.1
Rabii, S.2
-
65
-
-
77955508361
-
Graphene to Graphite: Electronic Changes within DFT Calculations
-
AlZahrani, A. Z.; Srivastava, G. P. Graphene to Graphite: Electronic Changes within DFT Calculations Braz. J. Phys. 2009, 39, 694-698
-
(2009)
Braz. J. Phys.
, vol.39
, pp. 694-698
-
-
Alzahrani, A.Z.1
Srivastava, G.P.2
-
66
-
-
26144450583
-
Self-Interaction Correction to Density-Functional Approximations for many-Electron Systems
-
Perdew, J. P.; Zunger, A. Self-Interaction Correction to Density-Functional Approximations for many-Electron Systems Phys. Rev. B 1981, 23, 5048-5079
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048-5079
-
-
Perdew, J.P.1
Zunger, A.2
-
67
-
-
0000946635
-
Optimized Geometries and Electronic Structures of Graphyne and its Family
-
Narita, N.; Nagai, S.; Suzuki, S.; Nakao, K. Optimized Geometries and Electronic Structures of Graphyne and its Family Phys. Rev. B 1998, 58, 11009-11014
-
(1998)
Phys. Rev. B
, vol.58
, pp. 11009-11014
-
-
Narita, N.1
Nagai, S.2
Suzuki, S.3
Nakao, K.4
-
68
-
-
80455123733
-
Density-Functional Investigation of Rhombohedral Stacks of Graphene: Topological Surface States, Nonlinear Dielectric Response, and Bulk Limit
-
Xiao, R.; Tasnadi, F.; Koepernik, K.; Venderbos, J. W. F.; Richter, M.; Taut, M. Density-Functional Investigation of Rhombohedral Stacks of Graphene: Topological Surface States, Nonlinear Dielectric Response, and Bulk Limit Phys. Rev. B 2011, 84, 165404
-
(2011)
Phys. Rev. B
, vol.84
, pp. 165404
-
-
Xiao, R.1
Tasnadi, F.2
Koepernik, K.3
Venderbos, J.W.F.4
Richter, M.5
Taut, M.6
-
69
-
-
35949018871
-
Model Studies of Oxygen-Intercalated Graphite
-
Butkus, A. M.; Yang, C. Y. Model Studies of Oxygen-Intercalated Graphite Phys. Rev. B 1982, 26, 6853-6861
-
(1982)
Phys. Rev. B
, vol.26
, pp. 6853-6861
-
-
Butkus, A.M.1
Yang, C.Y.2
-
70
-
-
84858393477
-
A Graphite-Like Zero Gap Semiconductor with an Interlayer Separation of 2.8 Å
-
Baskey, M.; Saha, S. K. A Graphite-Like Zero Gap Semiconductor with an Interlayer Separation of 2.8 Å Adv. Mater. 2012, 24, 1589-1593
-
(2012)
Adv. Mater.
, vol.24
, pp. 1589-1593
-
-
Baskey, M.1
Saha, S.K.2
-
71
-
-
0001489790
-
α→β Phase Transition in Tin: A Theoretical Study Based on Density-Functional Perturbation Theory
-
Pavone, P.; Baroni, S.; de Gironcoli, S. α→β Phase Transition in Tin: A Theoretical Study Based on Density-Functional Perturbation Theory Phys. Rev. B 1998, 57, 10421-10423
-
(1998)
Phys. Rev. B
, vol.57
, pp. 10421-10423
-
-
Pavone, P.1
Baroni, S.2
De Gironcoli, S.3
-
72
-
-
70350584534
-
Heyd-Scuseria-Ernzerhof Hybrid Functional for Calculating the Lattice Dynamics of Semiconductors
-
Hummer, K.; Harl, J.; Kresse, G. Heyd-Scuseria-Ernzerhof Hybrid Functional for Calculating the Lattice Dynamics of Semiconductors Phys. Rev. B 2009, 80, 115205/1-115205/12
-
(2009)
Phys. Rev. B
, vol.80
-
-
Hummer, K.1
Harl, J.2
Kresse, G.3
-
73
-
-
0035847027
-
A Three-Dimensional Synthetic Metallic Crystal Composed of Single-Component Molecules
-
Tanaka, H.; Okano, Y.; Kobayashi, H.; Suzuki, W.; Kobayashi, A. A Three-Dimensional Synthetic Metallic Crystal Composed of Single-Component Molecules Science 2001, 291, 285-287
-
(2001)
Science
, vol.291
, pp. 285-287
-
-
Tanaka, H.1
Okano, Y.2
Kobayashi, H.3
Suzuki, W.4
Kobayashi, A.5
-
75
-
-
84877131542
-
Carrier Mobility in Graphyne Should Be even Larger than That in Graphene: A Theoretical Prediction
-
Chen, J.; Xi, J.; Wang, D.; Shuai, Z. Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction J. Phys. Chem. Lett. 2013, 4, 1443-1448
-
(2013)
J. Phys. Chem. Lett.
, vol.4
, pp. 1443-1448
-
-
Chen, J.1
Xi, J.2
Wang, D.3
Shuai, Z.4
-
76
-
-
84870423032
-
A Simple Tight-Binding Model for Typical Graphyne Structures
-
Liu, Z.; Yu, G.; Yao, H.; Liu, L.; Jiag, L.; Zheng, Y. A Simple Tight-Binding Model for Typical Graphyne Structures New J. Phys. 2012, 14, 113007-113016
-
(2012)
New J. Phys.
, vol.14
, pp. 113007-113016
-
-
Liu, Z.1
Yu, G.2
Yao, H.3
Liu, L.4
Jiag, L.5
Zheng, Y.6
-
77
-
-
84874307191
-
Two-Dimensional Carbon Compounds Derived from Graphyne with Chemical Properties Superior to those of Graphene
-
Zheng, J.-J.; Zhao, X.; Zhao, Y.; Gao, X. Two-Dimensional Carbon Compounds Derived from Graphyne with Chemical Properties Superior to those of Graphene Sci. Rep. 2013, 3, 1271-1277
-
(2013)
Sci. Rep.
, vol.3
, pp. 1271-1277
-
-
Zheng, J.-J.1
Zhao, X.2
Zhao, Y.3
Gao, X.4
-
78
-
-
77957716029
-
Density Functional Theory Screened-Exchange Approach for Investigating Electronical Properties of Graphene-Related Materials
-
Gillen, R.; Robertson, J. Density Functional Theory Screened-Exchange Approach for Investigating Electronical Properties of Graphene-Related Materials Phys. Rev. B 2010, 82, 125406
-
(2010)
Phys. Rev. B
, vol.82
, pp. 125406
-
-
Gillen, R.1
Robertson, J.2
-
79
-
-
84866113275
-
-
Hwang, C.; Siegel, D. A.; Mo, S.-K.; Regan, W.; Ismach, A.; Zhang, Y.; Zettl, A.; Lanzara, A. Sci. Rep. 2012, 2, 590
-
(2012)
Sci. Rep.
, vol.2
, pp. 590
-
-
Hwang, C.1
Siegel, D.A.2
Mo, S.-K.3
Regan, W.4
Ismach, A.5
Zhang, Y.6
Zettl, A.7
Lanzara, A.8
-
80
-
-
84866863984
-
Graphyne As a Promising Metal-Free Electrocatalyst for Oxygen Reduction Reactions in Acidic Fuel Cells: A DFT Study
-
Wu, P.; Pan Du, P.; Zhang, H.; Cai, C. Graphyne As a Promising Metal-Free Electrocatalyst for Oxygen Reduction Reactions in Acidic Fuel Cells: A DFT Study J. Phys. Chem C 2012, 116, 20472-20479
-
(2012)
J. Phys. Chem C
, vol.116
, pp. 20472-20479
-
-
Wu, P.1
Pan Du, P.2
Zhang, H.3
Cai, C.4
-
81
-
-
84866872385
-
Thermodynamically Stable Calcium-Decorated Graphyne as a Hydrogen Storage Medium
-
Hwang, H.; Kwon, Y.; Lee, H. Thermodynamically Stable Calcium-Decorated Graphyne as a Hydrogen Storage Medium J. Phys. Chem. C 2012, 116, 20220-20224
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 20220-20224
-
-
Hwang, H.1
Kwon, Y.2
Lee, H.3
-
82
-
-
84858147943
-
Graphyne and Graphdiyne: Promising Materials for Nanoelectronics and Energy Storage Applications
-
Srinivasu, K.; Ghosh, K. Graphyne and Graphdiyne: Promising Materials for Nanoelectronics and Energy Storage Applications J. Phys. Chem. C 2012, 116, 5951-5956
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 5951-5956
-
-
Srinivasu, K.1
Ghosh, K.2
-
83
-
-
84868343339
-
Ultra-High Hydrogen Storage Capacity of Li-Decorated Graphyne: A First-principles Prediction
-
Zhang, H.; Zhao, M.; Bu, H.; He, X.; Zhang, M.; Zhao, L.; Luo, Y. Ultra-High Hydrogen Storage Capacity of Li-Decorated Graphyne: A First-principles Prediction J. Appl. Phys. 2012, 112, 084305-084309
-
(2012)
J. Appl. Phys.
, vol.112
, pp. 084305-084309
-
-
Zhang, H.1
Zhao, M.2
Bu, H.3
He, X.4
Zhang, M.5
Zhao, L.6
Luo, Y.7
-
84
-
-
84864511507
-
First-Principles Study of Hydrogenated Graphyne and its Family: Configurations and electronic structures
-
Tan, J.; He, X.; Zhao, M. First-Principles Study of Hydrogenated Graphyne and its Family: Configurations and electronic structures Diamond Relat. Mater. 2012, 29, 42-47
-
(2012)
Diamond Relat. Mater.
, vol.29
, pp. 42-47
-
-
Tan, J.1
He, X.2
Zhao, M.3
|