-
1
-
-
84901193930
-
Black Phosphorus Field-Effect Transistors
-
Li, L.; Yu, Y.; Ye, G. J.; Ge, Q.; Ou, X.; Wu, H.; Feng, D.; Chen, X. H.; Zhang, Y. Black Phosphorus Field-Effect Transistors Nat. Nanotechnol. 2014, 9, 372-377
-
(2014)
Nat. Nanotechnol.
, vol.9
, pp. 372-377
-
-
Li, L.1
Yu, Y.2
Ye, G.J.3
Ge, Q.4
Ou, X.5
Wu, H.6
Feng, D.7
Chen, X.H.8
Zhang, Y.9
-
2
-
-
84898060562
-
Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility
-
Liu, H.; Neal, A. T.; Zhu, Z.; Luo, Z.; Xu, X.; Tománek, D.; Ye, P. D. Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility ACS Nano 2014, 8, 4033-4041
-
(2014)
ACS Nano
, vol.8
, pp. 4033-4041
-
-
Liu, H.1
Neal, A.T.2
Zhu, Z.3
Luo, Z.4
Xu, X.5
Tománek, D.6
Ye, P.D.7
-
3
-
-
84896300940
-
Electric Field Effect in Ultrathin Black Phosphorus
-
Koenig, S. P.; Doganov, R. A.; Schmidt, H.; Neto, A. C.; Oezyilmaz, B. Electric Field Effect in Ultrathin Black Phosphorus Appl. Phys. Lett. 2014, 104, 103106
-
(2014)
Appl. Phys. Lett.
, vol.104
, pp. 103106
-
-
Koenig, S.P.1
Doganov, R.A.2
Schmidt, H.3
Neto, A.C.4
Oezyilmaz, B.5
-
4
-
-
84904616293
-
High-Mobility Transport Anisotropy and Linear Dichroism in Few-Layer Black Phosphorus
-
Qiao, J.; Kong, X.; Hu, Z.-X.; Yang, F.; Ji, W. High-Mobility Transport Anisotropy and Linear Dichroism in Few-Layer Black Phosphorus Nature Commun. 2014, 5, 4475
-
(2014)
Nature Commun.
, vol.5
, pp. 4475
-
-
Qiao, J.1
Kong, X.2
Hu, Z.-X.3
Yang, F.4
Ji, W.5
-
5
-
-
84908055378
-
Modulation of the Electronic Properties of Ultrathin Black Phosphorus by Strain and Electrical Field
-
Li, Y.; Yang, S.; Li, J. Modulation of the Electronic Properties of Ultrathin Black Phosphorus by Strain and Electrical Field J. Phys. Chem. C 2014, 118, 23970-23976 10.1021/jp506881v
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 23970-23976
-
-
Li, Y.1
Yang, S.2
Li, J.3
-
6
-
-
84898072730
-
Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells
-
Dai, J.; Zeng, X. C. Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells J. Phys. Chem. Lett. 2014, 5, 1289-1293
-
(2014)
J. Phys. Chem. Lett.
, vol.5
, pp. 1289-1293
-
-
Dai, J.1
Zeng, X.C.2
-
7
-
-
84906093410
-
Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers
-
Guo, H.; Lu, N.; Dai, J.; Wu, X.; Zeng, X. C. Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers J. Phys. Chem. C 2014, 118, 14051-14059
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 14051-14059
-
-
Guo, H.1
Lu, N.2
Dai, J.3
Wu, X.4
Zeng, X.C.5
-
8
-
-
84978903401
-
Superior mechanical flexibility of phosphorene and few-layer black phosphorus
-
Wei, Q.; Peng, X. Superior mechanical flexibility of phosphorene and few-layer black phosphorus Appl. Phys. Lett. 2014, 104, 251915
-
(2014)
Appl. Phys. Lett.
, vol.104
, pp. 251915
-
-
Wei, Q.1
Peng, X.2
-
9
-
-
84910654596
-
Anisotropic Elastic Behaviour and One-dimensional Metal in Phosphorene
-
Ding, Y.; Wang, Y.; Shi, L.; Xu, Z.; Ni, J. Anisotropic Elastic Behaviour and One-dimensional Metal in Phosphorene Phys. Status Solidi RRL 2014, 8, 939-942
-
(2014)
Phys. Status Solidi RRL
, vol.8
, pp. 939-942
-
-
Ding, Y.1
Wang, Y.2
Shi, L.3
Xu, Z.4
Ni, J.5
-
10
-
-
84875132192
-
Hole doped Dirac states in silicene by biaxial tensile strain
-
Kaloni, T. P.; Cheng, Y. C.; Schwingenschlogl, U. Hole doped Dirac states in silicene by biaxial tensile strain J. Appl. Phys. 2013, 113, 104305
-
(2013)
J. Appl. Phys.
, vol.113
, pp. 104305
-
-
Kaloni, T.P.1
Cheng, Y.C.2
Schwingenschlogl, U.3
-
11
-
-
84914695486
-
Strain Engineering for Phosphorene: The Potential Application as a Photocatalyst
-
Sa, B.; Li, Y.; Qi, J.; Ahuja, P. R.; Sun, Z. Strain Engineering for Phosphorene: the Potential Application as a Photocatalyst J. Phys. Chem. C 2014, 118, 26560-26568 10.1021/jp508618t
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 26560-26568
-
-
Sa, B.1
Li, Y.2
Qi, J.3
Ahuja, P.R.4
Sun, Z.5
-
12
-
-
84906087819
-
Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons
-
Han, X.-Y.; Morgan Stewart, H.; Shevlin, S. A.; Catlow, C. R. A.; Guo, Z. X. Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons Nano Lett. 2014, 14, 4607-4614
-
(2014)
Nano Lett.
, vol.14
, pp. 4607-4614
-
-
Han, X.-Y.1
Morgan Stewart, H.2
Shevlin, S.A.3
Catlow, C.R.A.4
Guo, Z.X.5
-
13
-
-
84905750141
-
Strain-engineered Direct-indirect Band Gap Transition and Its Mechanism in Two-dimensional Phosphorene
-
Peng, X.; Wei, Q.; Copple, A. Strain-engineered Direct-indirect Band Gap Transition and Its Mechanism in Two-dimensional Phosphorene Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 90, 085402
-
(2014)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.90
, pp. 085402
-
-
Peng, X.1
Wei, Q.2
Copple, A.3
-
14
-
-
84900478786
-
Strain-Engineering the Anisotropic Electrical Conductance of Few-Layer Black Phosphorus
-
Fei, R.; Yang, L. Strain-Engineering the Anisotropic Electrical Conductance of Few-Layer Black Phosphorus Nano Lett. 2014, 14, 2884-2889
-
(2014)
Nano Lett.
, vol.14
, pp. 2884-2889
-
-
Fei, R.1
Yang, L.2
-
15
-
-
84899721921
-
Strain-induced Gap Modification in Black Phosphorus
-
Rodin, A.; Carvalho, A.; Neto, A. C. Strain-induced Gap Modification in Black Phosphorus Phys. Rev. Lett. 2014, 112, 176801
-
(2014)
Phys. Rev. Lett.
, vol.112
, pp. 176801
-
-
Rodin, A.1
Carvalho, A.2
Neto, A.C.3
-
16
-
-
84905014867
-
Phase Coexistence and Metal-Insulator Transition in Few-Layer Phosphorene: A Computational Study
-
Guan, J.; Zhu, Z.; Tománek, D. Phase Coexistence and Metal-Insulator Transition in Few-Layer Phosphorene: A Computational Study Phys. Rev. Lett. 2014, 113, 046804
-
(2014)
Phys. Rev. Lett.
, vol.113
, pp. 046804
-
-
Guan, J.1
Zhu, Z.2
Tománek, D.3
-
17
-
-
84899739990
-
Semiconducting Layered Blue Phosphorus: A Computational Study
-
Zhu, Z.; Tománek, D. Semiconducting Layered Blue Phosphorus: A Computational Study Phys. Rev. Lett. 2014, 112, 176802
-
(2014)
Phys. Rev. Lett.
, vol.112
, pp. 176802
-
-
Zhu, Z.1
Tománek, D.2
-
18
-
-
84922953665
-
Elemental Analogues of Graphene: Silicene, Germanene, Stanene, and Phosphorene
-
Balendhran, S.; Walia, S.; Nili, H.; Sriram, S.; Bhaskaran, M. Elemental Analogues of Graphene: Silicene, Germanene, Stanene, and Phosphorene Small 2014, 11, 640-652 10.1002/smll.201402041
-
(2014)
Small
, vol.11
, pp. 640-652
-
-
Balendhran, S.1
Walia, S.2
Nili, H.3
Sriram, S.4
Bhaskaran, M.5
-
19
-
-
84906545207
-
A Theoretical Study of Blue Phosphorene Nanoribbons Based on First-principles Calculations
-
Xie, J.; Si, M. S.; Yang, D. Z.; Zhang, Z. Y.; Xue, D. S. A Theoretical Study of Blue Phosphorene Nanoribbons Based on First-principles Calculations J. Appl. Phys. 2014, 116, 073704
-
(2014)
J. Appl. Phys.
, vol.116
, pp. 073704
-
-
Xie, J.1
Si, M.S.2
Yang, D.Z.3
Zhang, Z.Y.4
Xue, D.S.5
-
20
-
-
84907978491
-
Edge Effects on the Electronic Properties of Phosphorene Nanoribbons
-
Peng, X.; Copple, A.; Wei, Q. Edge Effects on the Electronic Properties of Phosphorene Nanoribbons J. Appl. Phys. 2014, 116, 144301
-
(2014)
J. Appl. Phys.
, vol.116
, pp. 144301
-
-
Peng, X.1
Copple, A.2
Wei, Q.3
-
21
-
-
84920653657
-
Ab initio Studies of Thermodynamic and Electronic Properties of Phosphorene Nanoribbons
-
Ramasubramaniam, A.; Muniz, A. R. Ab initio Studies of Thermodynamic and Electronic Properties of Phosphorene Nanoribbons Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 90, 085424
-
(2014)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.90
, pp. 085424
-
-
Ramasubramaniam, A.1
Muniz, A.R.2
-
22
-
-
84907452161
-
Magnetism of Zigzag Edge Phosphorene Nanoribbons
-
Zhu, Z.; Li, C.; Yu, W.; Chang, D.; Sun, Q.; Jia, Y. Magnetism of Zigzag Edge Phosphorene Nanoribbons Appl. Phys. Lett. 2014, 105, 113105
-
(2014)
Appl. Phys. Lett.
, vol.105
, pp. 113105
-
-
Zhu, Z.1
Li, C.2
Yu, W.3
Chang, D.4
Sun, Q.5
Jia, Y.6
-
23
-
-
84907466626
-
Electronic Properties of Edge-Hydrogenated Phosphorene Nanoribbons: A First-Principles Study
-
Li, W.; Zhang, G.; Zhang, Y.-W. Electronic Properties of Edge-Hydrogenated Phosphorene Nanoribbons: A First-Principles Study J. Phys. Chem. C 2014, 118, 22368-22372
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 22368-22372
-
-
Li, W.1
Zhang, G.2
Zhang, Y.-W.3
-
24
-
-
84902764385
-
Scaling Laws for the Band Gap and Optical Response of Phosphorene Nanoribbons
-
Tran, V.; Yang, L. Scaling Laws for the Band Gap and Optical Response of Phosphorene Nanoribbons Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 89, 245407
-
(2014)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.89
, pp. 245407
-
-
Tran, V.1
Yang, L.2
-
25
-
-
67650088362
-
Density Functional Theory Study of Fe, Co, and Ni Adatoms and Dimers Adsorbed on Graphene
-
Johll, H.; Kang, H. C.; Tok, E. S. Density Functional Theory Study of Fe, Co, and Ni Adatoms and Dimers Adsorbed on Graphene Phys. Rev. B: Condens. Matter Mater. Phys. 2009, 79, 245416
-
(2009)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.79
, pp. 245416
-
-
Johll, H.1
Kang, H.C.2
Tok, E.S.3
-
26
-
-
77955759474
-
Transition Metal Adatom and Dimer Adsorbed on Graphene: Induced Magnetization and Electronic Structures
-
Cao, C.; Wu, M.; Jiang, J.; Cheng, H.-P. Transition Metal Adatom and Dimer Adsorbed on Graphene: Induced Magnetization and Electronic Structures Phys. Rev. B: Condens. Matter Mater. Phys. 2010, 81, 205424
-
(2010)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.81
, pp. 205424
-
-
Cao, C.1
Wu, M.2
Jiang, J.3
Cheng, H.-P.4
-
27
-
-
79961184772
-
Ab initio Study of 3d, 4d, and 5d Transition Metal Adatoms and Dimers Adsorbed on Hydrogen-passivated Zigzag Graphene Nanoribbons
-
Longo, R. C.; Carrete, J.; Gallego, L. J. Ab initio Study of 3d, 4d, and 5d Transition Metal Adatoms and Dimers Adsorbed on Hydrogen-passivated Zigzag Graphene Nanoribbons Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 83, 235415
-
(2011)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.83
, pp. 235415
-
-
Longo, R.C.1
Carrete, J.2
Gallego, L.J.3
-
28
-
-
84875691483
-
Adatoms and Clusters of 3 d Transition Metals on Graphene: Electronic and Magnetic Configurations
-
Eelbo, T.; Was̈niowska, M.; Thakur, P.; Gyamfi, M.; Sachs, B.; Wehling, T. O.; Forti, S.; Starke, U.; Tieg, C.; Lichtenstein, A. I. Adatoms and Clusters of 3 d Transition Metals on Graphene: Electronic and Magnetic Configurations Phys. Rev. Lett. 2013, 110, 136804
-
(2013)
Phys. Rev. Lett.
, vol.110
, pp. 136804
-
-
Eelbo, T.1
Was̈niowska, M.2
Thakur, P.3
Gyamfi, M.4
Sachs, B.5
Wehling, T.O.6
Forti, S.7
Starke, U.8
Tieg, C.9
Lichtenstein, A.I.10
-
29
-
-
84885958980
-
Structural and Magnetic Properties of 3d Transition-Metal-Atom Adsorption on Perfect and Defective Graphene: A Density Functional Theory Study
-
Zhang, T.; Zhu, L.; Yuan, S.; Wang, J. Structural and Magnetic Properties of 3d Transition-Metal-Atom Adsorption on Perfect and Defective Graphene: A Density Functional Theory Study ChemPhysChem. 2013, 14, 3483-3488
-
(2013)
ChemPhysChem.
, vol.14
, pp. 3483-3488
-
-
Zhang, T.1
Zhu, L.2
Yuan, S.3
Wang, J.4
-
30
-
-
78650115003
-
Light Non-metallic Atom (B, N, O and F)-doped Graphene: A First-principles Study
-
Wu, M.; Cao, C.; Jiang, J. Z. Light Non-metallic Atom (B, N, O and F)-doped Graphene: A First-principles Study Nanotechnology 2010, 21, 505202
-
(2010)
Nanotechnology
, vol.21
, pp. 505202
-
-
Wu, M.1
Cao, C.2
Jiang, J.Z.3
-
31
-
-
81255138293
-
Induced magnetism in transition metal intercalated graphitic systems
-
Kaloni, T. P.; Kahaly, M. U.; Schwingenschlogl, U. Induced magnetism in transition metal intercalated graphitic systems J. Mater. Chem. 2011, 21, 18681-18685
-
(2011)
J. Mater. Chem.
, vol.21
, pp. 18681-18685
-
-
Kaloni, T.P.1
Kahaly, M.U.2
Schwingenschlogl, U.3
-
32
-
-
84865688513
-
Much Stronger Binding of Metal Adatoms to Silicene than to Graphene: A First-principles Study
-
Lin, X.; Ni, J. Much Stronger Binding of Metal Adatoms to Silicene than to Graphene: A First-principles Study Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 075440
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 075440
-
-
Lin, X.1
Ni, J.2
-
33
-
-
84874531644
-
Adsorption of Alkali, Alkaline-earth, and 3d Transition Metal Atoms on Silicene
-
Sahin, H.; Peeters, F. M. Adsorption of Alkali, Alkaline-earth, and 3d Transition Metal Atoms on Silicene Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 085423
-
(2013)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.87
, pp. 085423
-
-
Sahin, H.1
Peeters, F.M.2
-
34
-
-
84874517950
-
Adsorption and Absorption of Boron, Nitrogen, Aluminum, and Phosphorus on Silicene: Stability and Electronic and Phonon Properties
-
Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F. M. Adsorption and Absorption of Boron, Nitrogen, Aluminum, and Phosphorus on Silicene: Stability and Electronic and Phonon Properties Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 085444
-
(2013)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.87
, pp. 085444
-
-
Sivek, J.1
Sahin, H.2
Partoens, B.3
Peeters, F.M.4
-
35
-
-
84906307034
-
Metal Adatoms-decorated Silicene as Hydrogen Storage Media
-
Wang, Y.; Zheng, R.; Gao, H.; Zhang, J.; Xu, B.; Sun, Q.; Jia, Y. Metal Adatoms-decorated Silicene as Hydrogen Storage Media Int. J. Hydrogen Energy 2014, 39, 14027-14032
-
(2014)
Int. J. Hydrogen Energy
, vol.39
, pp. 14027-14032
-
-
Wang, Y.1
Zheng, R.2
Gao, H.3
Zhang, J.4
Xu, B.5
Sun, Q.6
Jia, Y.7
-
37
-
-
84889815493
-
Transition Metal (Fe and Cr) Adsorptions on Buckled and Planar Silicene Monolayers: A Density Functional Theory Investigation
-
Bui, V. Q.; Pham, T.-T.; Nguyen, H.-V. S.; Le, H. M. Transition Metal (Fe and Cr) Adsorptions on Buckled and Planar Silicene Monolayers: A Density Functional Theory Investigation J. Phys. Chem. C 2013, 117, 23364-23371
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 23364-23371
-
-
Bui, V.Q.1
Pham, T.-T.2
Nguyen, H.-V.S.3
Le, H.M.4
-
38
-
-
84908591510
-
Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3d Transition Metal Atoms
-
Kaloni, T. P. Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3d Transition Metal Atoms J. Phys. Chem. C 2014, 118, 25200-25208
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 25200-25208
-
-
Kaloni, T.P.1
-
39
-
-
84904116902
-
Tunable Electronic and Magnetic Properties in Germanene by Alkali, Alkaline-earth, Group III and 3d Transition Metal Atom Adsorption
-
Li, S.-s.; Zhang, C.-w.; Ji, W.-x.; Li, F.; Wang, P.-j.; Hu, S.-j.; Yan, S.-s.; Liu, Y.-s. Tunable Electronic and Magnetic Properties in Germanene by Alkali, Alkaline-earth, Group III and 3d Transition Metal Atom Adsorption Phys. Chem. Chem. Phys. 2014, 16, 15968-15978
-
(2014)
Phys. Chem. Chem. Phys.
, vol.16
, pp. 15968-15978
-
-
Li, S.S.1
Zhang, W.C.2
Ji, X.W.3
Li, F.4
Wang, J.P.5
Hu, J.S.6
Yan, S.S.7
Liu, S.Y.8
-
40
-
-
84893115425
-
Prediction of a quantum anomalous Hall state in Co-decorated silicene
-
Kaloni, T. P.; Singh, N.; Schwingenschlögl, U. Prediction of a quantum anomalous Hall state in Co-decorated silicene Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 89, 035409
-
(2014)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.89
, pp. 035409
-
-
Kaloni, T.P.1
Singh, N.2
Schwingenschlögl, U.3
-
41
-
-
84949115605
-
Large Enhancement and Tunable Band Gap in Silicene by Small Organic Molecule Adsorption
-
Kaloni, T. P.; Schreckenbach, G.; Freund, M. S. Large Enhancement and Tunable Band Gap in Silicene by Small Organic Molecule Adsorption J. Phys. Chem. C 2014, 118, 23361-23367
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 23361-23367
-
-
Kaloni, T.P.1
Schreckenbach, G.2
Freund, M.S.3
-
42
-
-
78149241699
-
Functionalization of BN Honeycomb Structure by Adsorption and Substitution of Foreign Atoms
-
Ataca, C.; Ciraci, S. Functionalization of BN Honeycomb Structure by Adsorption and Substitution of Foreign Atoms Phys. Rev. B: Condens. Matter Mater. Phys. 2010, 82, 165402
-
(2010)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.82
, pp. 165402
-
-
Ataca, C.1
Ciraci, S.2
-
43
-
-
85027955133
-
First-principles study of the electronic and magnetic properties of 4-8 line-defect-embedded BN sheets decorated with transition metals
-
Wang, Y.; Ding, Y. First-principles study of the electronic and magnetic properties of 4-8 line-defect-embedded BN sheets decorated with transition metals Ann. Phys. (Berlin, Ger.) 2014, 9-10, 415-422
-
(2014)
Ann. Phys. (Berlin, Ger.)
, vol.910
, pp. 415-422
-
-
Wang, Y.1
Ding, Y.2
-
44
-
-
77954883395
-
First-principles Study of Defects and Adatoms in Silicon Carbide Honeycomb Structures
-
Bekaroglu, E.; Topsakal, M.; Cahangirov, S.; Ciraci, S. First-principles Study of Defects and Adatoms in Silicon Carbide Honeycomb Structures Phys. Rev. B: Condens. Matter Mater. Phys. 2010, 81, 075433
-
(2010)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.81
, pp. 075433
-
-
Bekaroglu, E.1
Topsakal, M.2
Cahangirov, S.3
Ciraci, S.4
-
45
-
-
77749279756
-
Magnetic Properties of Nonmetal Atoms Absorbed MoS2 Monolayers
-
He, J.; Wu, K.; Sa, R.; Li, Q.; Wei, Y. Magnetic Properties of Nonmetal Atoms Absorbed MoS2 Monolayers Appl. Phys. Lett. 2010, 96, 082504
-
(2010)
Appl. Phys. Lett.
, vol.96
, pp. 082504
-
-
He, J.1
Wu, K.2
Sa, R.3
Li, Q.4
Wei, Y.5
-
46
-
-
80051932226
-
Functionalization of Single-Layer MoS2 Honeycomb Structures
-
Ataca, C.; Ciraci, S. Functionalization of Single-Layer MoS2 Honeycomb Structures J. Phys. Chem. C 2011, 115, 13303-13311
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 13303-13311
-
-
Ataca, C.1
Ciraci, S.2
-
47
-
-
84905728441
-
Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response
-
Kou, L.; Frauenheim, T.; Chen, C. Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response J. Phys. Chem. Lett. 2014, 5, 2675-2681
-
(2014)
J. Phys. Chem. Lett.
, vol.5
, pp. 2675-2681
-
-
Kou, L.1
Frauenheim, T.2
Chen, C.3
-
48
-
-
0030190741
-
Efficiency of Ab-initio Total Energy Calculations for Metals and Semiconductors Using a Plane-wave Basis Set
-
Kresse, G.; Furthmuller, J. Efficiency of Ab-initio Total Energy Calculations for Metals and Semiconductors Using a Plane-wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
49
-
-
2442537377
-
Efficient Iterative Schemes for Ab Initio Total-energy Calculations Using a Plane-wave Basis Set
-
Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-energy Calculations Using a Plane-wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186
-
(1996)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmuller, J.2
-
50
-
-
33750559983
-
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
-
Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction J. Comput. Chem. 2006, 27, 1787-1799
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.1
-
51
-
-
65449183764
-
A Grid-Based Bader Analysis Algorithm without Lattice Bias
-
Tang, W.; Sanville, E.; Henkelman, G. A Grid-Based Bader Analysis Algorithm without Lattice Bias J. Phys.: Condens. Matter. 2009, 21, 084204
-
(2009)
J. Phys.: Condens. Matter.
, vol.21
, pp. 084204
-
-
Tang, W.1
Sanville, E.2
Henkelman, G.3
-
52
-
-
84908192447
-
Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS2 structure
-
Gimbert, F.; Lee, C.-C.; Friedlein, R.; Fleurence, A.; Yamada-Takamura, Y.; Ozaki, T. Diverse forms of bonding in two-dimensional Si allotropes: Nematic orbitals in the MoS2 structure Phys. Rev. B: Condens. Matter Mater. Phys. 2014, 90, 165423
-
(2014)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.90
, pp. 165423
-
-
Gimbert, F.1
Lee, C.-C.2
Friedlein, R.3
Fleurence, A.4
Yamada-Takamura, Y.5
Ozaki, T.6
-
53
-
-
84865485436
-
Bipolar Magnetic Semiconductors: A New Class of Spintronics Materials
-
Li, X.; Wu, X.; Li, Z.; Yang, J.; Hou, J. G. Bipolar Magnetic Semiconductors: a New Class of Spintronics Materials Nanoscale 2012, 4, 5680-5685
-
(2012)
Nanoscale
, vol.4
, pp. 5680-5685
-
-
Li, X.1
Wu, X.2
Li, Z.3
Yang, J.4
Hou, J.G.5
-
54
-
-
24244444170
-
Absence of Diffusion in Certain Random Lattices
-
Anderson, P. W. Absence of Diffusion in Certain Random Lattices Phys. Rev. 1958, 109, 1492-1505
-
(1958)
Phys. Rev.
, vol.109
, pp. 1492-1505
-
-
Anderson, P.W.1
-
55
-
-
80755189606
-
Oxidation of monovacancies in graphene by oxygen molecules
-
Kaloni, T. P.; Cheng, Y. C.; Faccio, R.; Schwingenschlogl, U. Oxidation of monovacancies in graphene by oxygen molecules J. Mater. Chem. 2011, 21, 18284-18288
-
(2011)
J. Mater. Chem.
, vol.21
, pp. 18284-18288
-
-
Kaloni, T.P.1
Cheng, Y.C.2
Faccio, R.3
Schwingenschlogl, U.4
-
56
-
-
84883215265
-
Obtaining High Localized Spin Magnetic Moments by Fluorination of Reduced Graphene Oxide
-
Feng, Q.; Tang, N.; Liu, F.; Cao, Q.; Zheng, W.; Ren, W.; Wan, X.; Du, Y. Obtaining High Localized Spin Magnetic Moments by Fluorination of Reduced Graphene Oxide ACS Nano 2013, 7, 6729-6734
-
(2013)
ACS Nano
, vol.7
, pp. 6729-6734
-
-
Feng, Q.1
Tang, N.2
Liu, F.3
Cao, Q.4
Zheng, W.5
Ren, W.6
Wan, X.7
Du, Y.8
-
57
-
-
84883596940
-
Modelling magnetism of C at O and B monovacancies in graphene
-
Kaloni, T.; Kahaly, M. U.; Faccio, R.; Schwingenschlogl, U. Modelling magnetism of C at O and B monovacancies in graphene Carbon 2013, 64, 281-287
-
(2013)
Carbon
, vol.64
, pp. 281-287
-
-
Kaloni, T.1
Kahaly, M.U.2
Faccio, R.3
Schwingenschlogl, U.4
-
58
-
-
84905717965
-
CrXTe3 (X = Si, Ge) Nanosheets: Two Dimensional Intrinsic Ferromagnetic Semiconductors
-
Li, X.; Yang, J. CrXTe3 (X = Si, Ge) Nanosheets: Two Dimensional Intrinsic Ferromagnetic Semiconductors J. Mater. Chem. C 2014, 2, 7071-7076
-
(2014)
J. Mater. Chem. C
, vol.2
, pp. 7071-7076
-
-
Li, X.1
Yang, J.2
-
59
-
-
68649102372
-
Spin Gapless Semiconductor-Metal-Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons
-
Li, Y.; Zhou, Z.; Shen, P.; Chen, Z. Spin Gapless Semiconductor-Metal-Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons ACS Nano 2009, 3, 1952-1958
-
(2009)
ACS Nano
, vol.3
, pp. 1952-1958
-
-
Li, Y.1
Zhou, Z.2
Shen, P.3
Chen, Z.4
-
60
-
-
78649430750
-
Migration of Adatom Adsorption on Graphene Using DFT Calculation
-
Nakada, K.; Ishii, A. Migration of Adatom Adsorption on Graphene Using DFT Calculation Solid State Commun. 2011, 151, 13-16
-
(2011)
Solid State Commun.
, vol.151
, pp. 13-16
-
-
Nakada, K.1
Ishii, A.2
-
61
-
-
77955306189
-
Density functional calculation of transition metal adatom adsorption on graphene
-
Hu, L.; Hu, X.; Wu, X.; Du, C.; Dai, Y.; Deng, J. Density functional calculation of transition metal adatom adsorption on graphene Phys. B (Amsterdam, Neth.) 2010, 405, 3337-3341
-
(2010)
Phys. B (Amsterdam, Neth.)
, vol.405
, pp. 3337-3341
-
-
Hu, L.1
Hu, X.2
Wu, X.3
Du, C.4
Dai, Y.5
Deng, J.6
-
62
-
-
79551635994
-
Formation of hydrogenated graphene nanoripples by strain engineering and directed surface self-assembly
-
Wang, Z. F.; Zhang, Y.; Liu, F. Formation of hydrogenated graphene nanoripples by strain engineering and directed surface self-assembly Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 83, 041403
-
(2011)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.83
, pp. 041403
-
-
Wang, Z.F.1
Zhang, Y.2
Liu, F.3
-
63
-
-
84255204862
-
Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers
-
Tozzini, V.; Pellegrini, V. Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers J. Phys. Chem. C 2011, 115, 25523-25528
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 25523-25528
-
-
Tozzini, V.1
Pellegrini, V.2
-
64
-
-
84940380822
-
Semiconducting black phosphorus: Synthesis, transport properties and electronic applications
-
Liu, H.; Du, Y.; Deng, Y.; Ye, P. D. Semiconducting black phosphorus: Synthesis, transport properties and electronic applications Chem. Soc. Rev. 2015, 44, 2732-2743 10.1039/C4CS00257A
-
(2015)
Chem. Soc. Rev.
, vol.44
, pp. 2732-2743
-
-
Liu, H.1
Du, Y.2
Deng, Y.3
Ye, P.D.4
-
65
-
-
84977308048
-
An X-ray diffraction study of lattice compression and phase transition of crystalline phosphorus
-
Kikegawa, T.; Iwasaki, H. An X-ray diffraction study of lattice compression and phase transition of crystalline phosphorus Acta Crystallogr. B: Struct. Sci. 1983, 39, 158-164
-
(1983)
Acta Crystallogr. B: Struct. Sci.
, vol.39
, pp. 158-164
-
-
Kikegawa, T.1
Iwasaki, H.2
-
67
-
-
84922244079
-
Native point defects in few-layer phosphorene
-
Wang, V.; Kawazoe, Y.; Geng, W. T. Native point defects in few-layer phosphorene Phys. Rev. B: Condens. Matter Mater. Phys. 2015, 91, 045433
-
(2015)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.91
, pp. 045433
-
-
Wang, V.1
Kawazoe, Y.2
Geng, W.T.3
-
68
-
-
84864587824
-
Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage
-
Chen, M.; Zhao, Y.-J.; Liao, J.-H.; Yang, X.-B. Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 045459
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 045459
-
-
Chen, M.1
Zhao, Y.-J.2
Liao, J.-H.3
Yang, X.-B.4
-
69
-
-
58849141743
-
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations
-
Freysoldt, C.; Neugebauer, J.; van de Walle, C. G. Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations Phys. Rev. Lett. 2009, 102, 016402
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 016402
-
-
Freysoldt, C.1
Neugebauer, J.2
Van De Walle, C.G.3
-
70
-
-
78651294842
-
Electrostatic interactions between charged defects in supercells
-
Freysoldt, C.; Neugebauer, J.; van de Walle, C. G. Electrostatic interactions between charged defects in supercells Phys. Status Solidi B 2011, 248, 1067-1076
-
(2011)
Phys. Status Solidi B
, vol.248
, pp. 1067-1076
-
-
Freysoldt, C.1
Neugebauer, J.2
Van De Walle, C.G.3
|