-
1
-
-
27744475163
-
Experimental observation of the quantum Hall effect and Berry's phase in graphene
-
Y. Zhang, Y.W. Tan, H.L. Stormer, and P. Kim Experimental observation of the quantum Hall effect and Berry's phase in graphene Nature 438 2005 201
-
(2005)
Nature
, vol.438
, pp. 201
-
-
Zhang, Y.1
Tan, Y.W.2
Stormer, H.L.3
Kim, P.4
-
2
-
-
41549123976
-
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study
-
O. Leenaerts, and F.M.P. Partoens Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study Phys. Rev. B 77 2008 125416
-
(2008)
Phys. Rev. B
, vol.77
, pp. 125416
-
-
Leenaerts, O.1
Partoens, F.M.P.2
-
3
-
-
34548388792
-
Detection of individual gas molecules adsorbed on graphene
-
F. Schedin, A.K. Geim, S.V. Morozov, E.W. Hill, P. Blake, M.I. Katsnelson, and K.S. Novoselov Detection of individual gas molecules adsorbed on graphene Nat. Mater. 6 2007 652
-
(2007)
Nat. Mater.
, vol.6
, pp. 652
-
-
Schedin, F.1
Geim, A.K.2
Morozov, S.V.3
Hill, E.W.4
Blake, P.5
Katsnelson, M.I.6
Novoselov, K.S.7
-
4
-
-
77956619666
-
First-principles study on the structural and electronic properties of graphene upon benzene and naphthalene adsorption
-
A.Z. AlZahrani First-principles study on the structural and electronic properties of graphene upon benzene and naphthalene adsorption Appl. Surf. Sci. 257 2010 807
-
(2010)
Appl. Surf. Sci.
, vol.257
, pp. 807
-
-
AlZahrani, A.Z.1
-
5
-
-
68949104130
-
Water on graphene: Hydrophobicity and dipole moment using density functional theory
-
O. Leenaerts, B. Partoens, and F.M. Peeters Water on graphene: hydrophobicity and dipole moment using density functional theory Phys. Rev. B 79 2009 235440
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235440
-
-
Leenaerts, O.1
Partoens, B.2
Peeters, F.M.3
-
7
-
-
67649946364
-
A DF-DFT-SAPT investigation of the binding of water of coronene and dodecabenzocoronene: Implications for the water-graphite interaction
-
G.R. Jeness, and K.D. Jordan A DF-DFT-SAPT investigation of the binding of water of coronene and dodecabenzocoronene: implications for the water-graphite interaction J. Phys. Chem. C 113 2009 10242
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 10242
-
-
Jeness, G.R.1
Jordan, K.D.2
-
8
-
-
84889243808
-
Theoretical investigation of CO2 adsorption on graphene
-
K.J. Lee, and S.J. Kim Theoretical investigation of CO2 adsorption on graphene Bull. Korean Chem. Soc. 34 2013 3022
-
(2013)
Bull. Korean Chem. Soc.
, vol.34
, pp. 3022
-
-
Lee, K.J.1
Kim, S.J.2
-
9
-
-
84871391776
-
Can Si-doped graphene activate or dissociate O2 molecule?
-
Y. Chen, X.C. Yang, Y.J. Liu, J.X. Zhao, Q.H. Cai, and X.Z. Wang Can Si-doped graphene activate or dissociate O2 molecule? J. Mol. Graph. Model. 39 2013 126
-
(2013)
J. Mol. Graph. Model.
, vol.39
, pp. 126
-
-
Chen, Y.1
Yang, X.C.2
Liu, Y.J.3
Zhao, J.X.4
Cai, Q.H.5
Wang, X.Z.6
-
10
-
-
48749088890
-
Enhancement of CO detection in Al doped graphene
-
Z. Ao, J. Yang, S. Li, and Q. Jiang Enhancement of CO detection in Al doped graphene Chem. Phys. Lett. 461 2008 276
-
(2008)
Chem. Phys. Lett.
, vol.461
, pp. 276
-
-
Ao, Z.1
Yang, J.2
Li, S.3
Jiang, Q.4
-
11
-
-
84886892746
-
A theoretical study of H2S adsorption on graphene doped with B, Al and Ga
-
S. Sharma, and A.S. Verma A theoretical study of H2S adsorption on graphene doped with B, Al and Ga Phys. B 427 2013 12
-
(2013)
Phys. B
, vol.427
, pp. 12
-
-
Sharma, S.1
Verma, A.S.2
-
12
-
-
84867745205
-
Pt-decorated graphene assuperior media for H2S adsorption: A first-principles study
-
M.D. Ganji, N. Sharifi, M. Ardjmand, and M.G. Ahangari Pt-decorated graphene assuperior media for H2S adsorption: a first-principles study Appl. Surf. Sci. 261 2012 697
-
(2012)
Appl. Surf. Sci.
, vol.261
, pp. 697
-
-
Ganji, M.D.1
Sharifi, N.2
Ardjmand, M.3
Ahangari, M.G.4
-
13
-
-
84908211747
-
DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene
-
H. Zhang, X. Luo, H. Song, X. Lin, X. Lu, and Y. Tang DFT study of adsorption and dissociation behavior of H2S on Fe-doped graphene Appl. Surf. Sci. 317 2014 511
-
(2014)
Appl. Surf. Sci.
, vol.317
, pp. 511
-
-
Zhang, H.1
Luo, X.2
Song, H.3
Lin, X.4
Lu, X.5
Tang, Y.6
-
14
-
-
47149111247
-
Electronic and structural properties of two-dimensional carbon nitride graphenes
-
M. Deifallah, P.F. McMillan, and F. Cora Electronic and structural properties of two-dimensional carbon nitride graphenes Phys. Chem. C 112 2008 5447
-
(2008)
Phys. Chem. C
, vol.112
, pp. 5447
-
-
Deifallah, M.1
McMillan, P.F.2
Cora, F.3
-
15
-
-
84892609280
-
Boosting graphene reactivity with oxygen by boron doping: Density functional theory modeling of the reaction path
-
L. Ferrighi, M. Datteo, and C.D. Valentin Boosting graphene reactivity with oxygen by boron doping: density functional theory modeling of the reaction path J. Phys. Chem. C 118 2014 223
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 223
-
-
Ferrighi, L.1
Datteo, M.2
Valentin, C.D.3
-
16
-
-
84940788837
-
Lewis acid-base surface interaction of some Boron compounds with N-doped graphene; First principles study
-
A.S. Rad, A. Shadravan, A.A. Soleymani, and N. Motaghedi Lewis acid-base surface interaction of some Boron compounds with N-doped graphene; first principles study Curr. Appl. Phys. 2015 10.1016/j.cap.2015.07.018
-
(2015)
Curr. Appl. Phys.
-
-
Rad, A.S.1
Shadravan, A.2
Soleymani, A.A.3
Motaghedi, N.4
-
17
-
-
48249135493
-
Doping graphene with metal contacts
-
G. Giovannetti, P.A. Khomyakov, G. Brocks, V.M. Karpan, J. van den Brink, and P.J. Kelly Doping graphene with metal contacts Phys. Rev. Lett. 101 2008 026803
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 026803
-
-
Giovannetti, G.1
Khomyakov, P.A.2
Brocks, G.3
Karpan, V.M.4
Van Den Brink, J.5
Kelly, P.J.6
-
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
-
(2013)
Superlattices Microstruct.
, vol.59
, pp. 115
-
-
Peyghan, A.A.1
Noei, M.2
Yourdkhani, S.3
-
19
-
-
84904753930
-
Al-decorated carbon nanotube as the molecular hydrogen storage medium
-
S. Seenithurai, R. Kodi Pandyan, S. Vinodh Kumar, C. Saranya, and M. Mahendran Al-decorated carbon nanotube as the molecular hydrogen storage medium Int. J. Hydrogen Energy 39 2014 11990
-
(2014)
Int. J. Hydrogen Energy
, vol.39
, pp. 11990
-
-
Seenithurai, S.1
Kodi Pandyan, R.2
Vinodh Kumar, S.3
Saranya, C.4
Mahendran, M.5
-
20
-
-
70249113678
-
Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: A first principle study
-
M. Chi, and Y.P. Zhao Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: a first principle study Comput. Mater. Sci. 46 2009 1085
-
(2009)
Comput. Mater. Sci.
, vol.46
, pp. 1085
-
-
Chi, M.1
Zhao, Y.P.2
-
22
-
-
84871727369
-
Adsorption of methane on pristine and Al-doped graphene: A comparative study via first-principles calculation
-
W. Zhao, and Q.Y. Meng Adsorption of methane on pristine and Al-doped graphene: a comparative study via first-principles calculation Adv. Mater. Res. 602-604 2012 870
-
(2012)
Adv. Mater. Res.
, vol.602-604
, pp. 870
-
-
Zhao, W.1
Meng, Q.Y.2
-
23
-
-
84873426750
-
Effects of Al doping and double-antisite defect on the adsorption of HCN on a BC2N nanotube: Density functional theory studies
-
A.A. Peyghan, N.L. Hadipour, and Z. Bagheri Effects of Al doping and double-antisite defect on the adsorption of HCN on a BC2N nanotube: density functional theory studies J. Phys. Chem. C 117 2013 2427
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 2427
-
-
Peyghan, A.A.1
Hadipour, N.L.2
Bagheri, Z.3
-
24
-
-
77957350619
-
First-principles studies of HF molecule adsorption on intrinsic graphene and Al-doped graphene
-
Y. Sun, L. Chen, F. Zhang, D. Li, H. Pan, and J. Ye First-principles studies of HF molecule adsorption on intrinsic graphene and Al-doped graphene Solid State Commun. 150 2010 1906
-
(2010)
Solid State Commun.
, vol.150
, pp. 1906
-
-
Sun, Y.1
Chen, L.2
Zhang, F.3
Li, D.4
Pan, H.5
Ye, J.6
-
25
-
-
79960808843
-
Enhanced role of Al or Ga-doped graphene on the adsorption and dissociation of N2O under electric field
-
Y. Lv, G. Zhuang, J. Wang, Y. Jia, and Q. Xie Enhanced role of Al or Ga-doped graphene on the adsorption and dissociation of N2O under electric field Phys. Chem. Chem. Phys. 13 2011 12472
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 12472
-
-
Lv, Y.1
Zhuang, G.2
Wang, J.3
Jia, Y.4
Xie, Q.5
-
26
-
-
84878522343
-
Sulfur dioxide adsorbed on graphene and heteroatom-doped graphene: A first-principles study
-
L. Shao, G. Chen, H. Ye, Y. Wu, Z. Qiao, Y. Zhu, and H. Niu Sulfur dioxide adsorbed on graphene and heteroatom-doped graphene: a first-principles study Eur. Phys. J. B 86 2013 54
-
(2013)
Eur. Phys. J. B
, vol.86
, pp. 54
-
-
Shao, L.1
Chen, G.2
Ye, H.3
Wu, Y.4
Qiao, Z.5
Zhu, Y.6
Niu, H.7
-
27
-
-
84941627562
-
Adsorption of Acetyl Halide molecules on the surface of pristine and Al-doped graphene: Ab initio study
-
A.S. Rad, and O.R. Kashani Adsorption of Acetyl Halide molecules on the surface of pristine and Al-doped graphene: ab initio study Appl. Surf. Sci. 355 2015 233
-
(2015)
Appl. Surf. Sci.
, vol.355
, pp. 233
-
-
Rad, A.S.1
Kashani, O.R.2
-
28
-
-
77954994069
-
-
A. Zandberg Med. Hist. 54 2010 387 10.1017/s002572730000466x
-
(2010)
Med. Hist.
, vol.54
, pp. 387
-
-
Zandberg, A.1
-
29
-
-
15744375697
-
-
Gaussian, Inc., Wallingford CT
-
Gaussian 03, Revision C.02, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A., Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004.
-
(2004)
Gaussian 03, Revision C.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.A.66
Liashenko67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
30
-
-
84934918710
-
Ab-initio study of interaction of some atmospheric gases (SO2, NH3, H2O, CO, CH4 and CO2) with polypyrrole (3PPy) gas sensor: DFT calculations
-
A.S. Rad, N. Nasimi, M. Jafari, D. Sadeghi Shabestari, and E. Gerami Ab-initio study of interaction of some atmospheric gases (SO2, NH3, H2O, CO, CH4 and CO2) with polypyrrole (3PPy) gas sensor: DFT calculations Sens. Actuat. B Chem. 220 2015 641
-
(2015)
Sens. Actuat. B Chem.
, vol.220
, pp. 641
-
-
Rad, A.S.1
Nasimi, N.2
Jafari, M.3
Sadeghi Shabestari, D.4
Gerami, E.5
|