-
1
-
-
77951069162
-
2
-
2 Nano Lett. 2010, 10, 1271-1275 10.1021/nl903868w
-
(2010)
Nano Lett.
, vol.10
, pp. 1271-1275
-
-
Splendiani, A.1
Sun, L.2
Zhang, Y.3
Li, T.4
Kim, J.5
Chim, C.-Y.6
Galli, G.7
Wang, F.8
-
4
-
-
84856170872
-
2 Phototransistors
-
2 Phototransistors ACS Nano 2012, 6, 74-80 10.1021/nn2024557
-
(2012)
ACS Nano
, vol.6
, pp. 74-80
-
-
Yin, Z.1
Li, H.2
Li, H.3
Jiang, L.4
Shi, Y.5
Sun, Y.6
Lu, G.7
Zhang, Q.8
Chen, X.9
Zhang, H.10
-
5
-
-
84880836099
-
Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials
-
Bernardi, M.; Palummo, M.; Grossman, J. C. Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials Nano Lett. 2013, 13, 3664-3670 10.1021/nl401544y
-
(2013)
Nano Lett.
, vol.13
, pp. 3664-3670
-
-
Bernardi, M.1
Palummo, M.2
Grossman, J.C.3
-
6
-
-
84878942676
-
Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films
-
Britnell, L.; Ribeiro, R. M.; Eckmann, A.; Jalil, R.; Belle, B. D.; Mishchenko, A.; Kim, Y. J.; Gorbachev, R. V.; Georgiou, T.; Morozov, S. V.; Grigorenko, A. N.; Geim, A. K.; Casiraghi, C.; Castro Neto, A. H.; Novoselov, K. S. Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films Science 2013, 340, 1311-1314 10.1126/science.1235547
-
(2013)
Science
, vol.340
, pp. 1311-1314
-
-
Britnell, L.1
Ribeiro, R.M.2
Eckmann, A.3
Jalil, R.4
Belle, B.D.5
Mishchenko, A.6
Kim, Y.J.7
Gorbachev, R.V.8
Georgiou, T.9
Morozov, S.V.10
Grigorenko, A.N.11
Geim, A.K.12
Casiraghi, C.13
Castro Neto, A.H.14
Novoselov, K.S.15
-
8
-
-
84883740799
-
2
-
2 Nat. Nanotechnol. 2013, 8, 634-638 10.1038/nnano.2013.151
-
(2013)
Nat. Nanotechnol.
, vol.8
, pp. 634-638
-
-
Jones, A.M.1
Yu, H.2
Ghimire, N.J.3
Wu, S.4
Aivazian, G.5
Ross, J.S.6
Zhao, B.7
Yan, J.8
Mandrus, D.G.9
Xiao, D.10
-
10
-
-
84866429144
-
Large Excitonic Effects in Monolayers of Molybdenum and Tungsten Dichalcogenides
-
Ramasubramaniam, A. Large Excitonic Effects in Monolayers of Molybdenum and Tungsten Dichalcogenides Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 115409 10.1103/PhysRevB.86.115409
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 115409
-
-
Ramasubramaniam, A.1
-
11
-
-
85027940328
-
Giant Bandgap Renormalization and Excitonic Effects in a Monolayer Transition Metal Dichalcogenide Semiconductor
-
Ugeda, M. M.; Bradley, A. J.; Shi, S.-F.; Felipe, H.; Zhang, Y.; Qiu, D. Y.; Ruan, W.; Mo, S.-K.; Hussain, Z.; Shen, Z.-X. Giant Bandgap Renormalization and Excitonic Effects in a Monolayer Transition Metal Dichalcogenide Semiconductor Nat. Mater. 2014, 13, 1091 10.1038/nmat4061
-
(2014)
Nat. Mater.
, vol.13
, pp. 1091
-
-
Ugeda, M.M.1
Bradley, A.J.2
Shi, S.-F.3
Felipe, H.4
Zhang, Y.5
Qiu, D.Y.6
Ruan, W.7
Mo, S.-K.8
Hussain, Z.9
Shen, Z.-X.10
-
12
-
-
84904309691
-
2
-
2 Phys. Rev. Lett. 2014, 113, 026803 10.1103/PhysRevLett.113.026803
-
(2014)
Phys. Rev. Lett.
, vol.113
, pp. 026803
-
-
He, K.1
Kumar, N.2
Zhao, L.3
Wang, Z.4
Mak, K.F.5
Zhao, H.6
Shan, J.7
-
13
-
-
84923366339
-
Bandgap Tunability at Single-Layer Molybdenum Disulphide Grain Boundaries
-
Huang, Y. L.; Chen, Y.; Zhang, W.; Quek, S. Y.; Chen, C.-H.; Li, L.-J.; Hsu, W.-T.; Chang, W.-H.; Zheng, Y. J.; Chen, W.; Wee, A. T. S. Bandgap Tunability at Single-Layer Molybdenum Disulphide Grain Boundaries Nat. Commun. 2015, 6, 6298 10.1038/ncomms7298
-
(2015)
Nat. Commun.
, vol.6
, pp. 6298
-
-
Huang, Y.L.1
Chen, Y.2
Zhang, W.3
Quek, S.Y.4
Chen, C.-H.5
Li, L.-J.6
Hsu, W.-T.7
Chang, W.-H.8
Zheng, Y.J.9
Chen, W.10
Wee, A.T.S.11
-
14
-
-
84942085097
-
Gate-Tunable Diode and Photovoltaic Effect in an Organic-2D Layered Material p-n Junction
-
Velez, S.; Ciudad, D.; Island, J.; Buscema, M.; Txoperena, O.; Parui, S.; Steele, G. A.; Casanova, F.; van der Zant, H. S.; Castellanos-Gomez, A.; Hueso, L. E. Gate-Tunable Diode and Photovoltaic Effect in an Organic-2D Layered Material p-n Junction Nanoscale 2015, 7, 15442-9 10.1039/C5NR04083C
-
(2015)
Nanoscale
, vol.7
, pp. 15442-15449
-
-
Velez, S.1
Ciudad, D.2
Island, J.3
Buscema, M.4
Txoperena, O.5
Parui, S.6
Steele, G.A.7
Casanova, F.8
Van Der Zant, H.S.9
Castellanos-Gomez, A.10
Hueso, L.E.11
-
15
-
-
84942194935
-
Van der Waals p-n Junction Based on an Organic-Inorganic Heterostructure
-
Liu, F.; Chow, W. L.; He, X.; Hu, P.; Zheng, S.; Wang, X.; Zhou, J.; Fu, Q.; Fu, W.; Yu, P.; Zeng, Q.; Fan, H. J.; Tay, B. K.; Kloc, C.; Liu, Z. Van der Waals p-n Junction Based on an Organic-Inorganic Heterostructure Adv. Funct. Mater. 2015, 25, 5865-5871 10.1002/adfm.201502316
-
(2015)
Adv. Funct. Mater.
, vol.25
, pp. 5865-5871
-
-
Liu, F.1
Chow, W.L.2
He, X.3
Hu, P.4
Zheng, S.5
Wang, X.6
Zhou, J.7
Fu, Q.8
Fu, W.9
Yu, P.10
Zeng, Q.11
Fan, H.J.12
Tay, B.K.13
Kloc, C.14
Liu, Z.15
-
16
-
-
84957889264
-
2
-
2 Nano Lett. 2016, 16 (1) 497-503 10.1021/acs.nanolett.5b04141
-
(2016)
Nano Lett.
, vol.16
, Issue.1
, pp. 497-503
-
-
Jariwala, D.1
Howell, S.2
Chen, K.-S.3
Kang, J.4
Sangwan, V.K.5
Filippone, S.A.6
Turrisi, R.7
Marks, T.J.8
Lauhon, L.J.9
Hersam, M.C.10
-
17
-
-
33751318708
-
Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
-
Neaton, J. B.; Hybertsen, M. S.; Louie, S. G. Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces Phys. Rev. Lett. 2006, 97, 216405 10.1103/PhysRevLett.97.216405
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 216405
-
-
Neaton, J.B.1
Hybertsen, M.S.2
Louie, S.G.3
-
18
-
-
77953593444
-
Polarization-Induced Renormalization of Molecular Levels at Metallic and Semiconducting Surfaces
-
Garcia-Lastra, J. M.; Rostgaard, C.; Rubio, A.; Thygesen, K. S. Polarization-Induced Renormalization of Molecular Levels at Metallic and Semiconducting Surfaces Phys. Rev. B: Condens. Matter Mater. Phys. 2009, 80, 245427 10.1103/PhysRevB.80.245427
-
(2009)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.80
, pp. 245427
-
-
Garcia-Lastra, J.M.1
Rostgaard, C.2
Rubio, A.3
Thygesen, K.S.4
-
19
-
-
84925484117
-
Light-Emitting Diodes by Band-Structure Engineering in Van der Waals Heterostructures
-
Withers, F.; Del Pozo-Zamudio, O.; Mishchenko, A.; Rooney, A.; Gholinia, A.; Watanabe, K.; Taniguchi, T.; Haigh, S.; Geim, A.; Tartakovskii, A. Light-Emitting Diodes by Band-Structure Engineering in Van der Waals Heterostructures Nat. Mater. 2015, 14, 301 10.1038/nmat4205
-
(2015)
Nat. Mater.
, vol.14
, pp. 301
-
-
Withers, F.1
Del Pozo-Zamudio, O.2
Mishchenko, A.3
Rooney, A.4
Gholinia, A.5
Watanabe, K.6
Taniguchi, T.7
Haigh, S.8
Geim, A.9
Tartakovskii, A.10
-
20
-
-
84937598295
-
2 Heterojunction
-
2 Heterojunction Nat. Commun. 2015, 6, 7666 10.1038/ncomms8666
-
(2015)
Nat. Commun.
, vol.6
, pp. 7666
-
-
Chiu, M.-H.1
Zhang, C.2
Shiu, H.-W.3
Chuu, C.-P.4
Chen, C.-H.5
Chang, C.-Y.S.6
Chen, C.-H.7
Chou, M.-Y.8
Shih, C.-K.9
Li, L.-J.10
-
21
-
-
84934980967
-
2: A Scanning Tunneling Microscopy/Spectroscopy Study and Deduction of Exciton Binding Energy
-
2: A Scanning Tunneling Microscopy/Spectroscopy Study and Deduction of Exciton Binding Energy 2D Mater. 2015, 2, 034004 10.1088/2053-1583/2/3/034004
-
(2015)
2D Mater.
, vol.2
, pp. 034004
-
-
Liu, H.1
Jiao, L.2
Xie, L.3
Yang, F.4
Chen, J.5
Ho, W.6
Gao, C.7
Jia, J.8
Cui, X.9
Xie, M.10
-
22
-
-
84908577823
-
2 Bilayers
-
2 Bilayers Appl. Phys. Lett. 2014, 105, 182105 10.1063/1.4900945
-
(2014)
Appl. Phys. Lett.
, vol.105
, pp. 182105
-
-
Wang, G.1
Marie, X.2
Bouet, L.3
Vidal, M.4
Balocchi, A.5
Amand, T.6
Lagarde, D.7
Urbaszek, B.8
-
23
-
-
33847758259
-
Vertical Bonding Distances of PTCDA on Au(111) and Ag(111): Relation to the Bonding Type
-
Henze, S. K. M.; Bauer, O.; Lee, T. L.; Sokolowski, M.; Tautz, F. S. Vertical Bonding Distances of PTCDA on Au(111) and Ag(111): Relation to the Bonding Type Surf. Sci. 2007, 601, 1566-1573 10.1016/j.susc.2007.01.020
-
(2007)
Surf. Sci.
, vol.601
, pp. 1566-1573
-
-
Henze, S.K.M.1
Bauer, O.2
Lee, T.L.3
Sokolowski, M.4
Tautz, F.S.5
-
24
-
-
33748928293
-
Scanning Tunneling and Photoemission Spectroscopies at the PTCDA/Au(111) Interface
-
Nicoara, N.; Román, E.; Gómez-Rodríguez, J. M.; Martín-Gago, J. A.; Méndez, J. Scanning Tunneling and Photoemission Spectroscopies at the PTCDA/Au(111) Interface Org. Electron. 2006, 7, 287-294 10.1016/j.orgel.2006.03.010
-
(2006)
Org. Electron.
, vol.7
, pp. 287-294
-
-
Nicoara, N.1
Román, E.2
Gómez-Rodríguez, J.M.3
Martín-Gago, J.A.4
Méndez, J.5
-
25
-
-
36449006485
-
Observation and Modeling of Quasi-Epitaxial Growth of a Crystalline Organic Thin-Film
-
Burrows, P. E.; Zhang, Y.; Haskal, E. I.; Forrest, S. R. Observation and Modeling of Quasi-Epitaxial Growth of a Crystalline Organic Thin-Film Appl. Phys. Lett. 1992, 61, 2417-2419 10.1063/1.108183
-
(1992)
Appl. Phys. Lett.
, vol.61
, pp. 2417-2419
-
-
Burrows, P.E.1
Zhang, Y.2
Haskal, E.I.3
Forrest, S.R.4
-
26
-
-
67849084592
-
Room-Temperature Molecular-Resolution Characterization of Self-Assembled Organic Monolayers on Epitaxial Graphene
-
Wang, Q. H.; Hersam, M. C. Room-Temperature Molecular-Resolution Characterization of Self-Assembled Organic Monolayers on Epitaxial Graphene Nat. Chem. 2009, 1, 206-211 10.1038/nchem.212
-
(2009)
Nat. Chem.
, vol.1
, pp. 206-211
-
-
Wang, Q.H.1
Hersam, M.C.2
-
27
-
-
84903187877
-
Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111): Electronic Structure by STM and First-Principles Calculations
-
Martínez-Galera, A. J.; Nicoara, N.; Martínez, J. I.; Dappe, Y. J.; Ortega, J.; Gómez-Rodríguez, J. M. Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111): Electronic Structure by STM and First-Principles Calculations J. Phys. Chem. C 2014, 118, 12782-12788 10.1021/jp500768y
-
(2014)
J. Phys. Chem. C
, vol.118
, pp. 12782-12788
-
-
Martínez-Galera, A.J.1
Nicoara, N.2
Martínez, J.I.3
Dappe, Y.J.4
Ortega, J.5
Gómez-Rodríguez, J.M.6
-
28
-
-
73249132169
-
Structural and Electronic Properties of PTCDA Thin Films on Epitaxial Graphene
-
Huang, H.; Chen, S.; Gao, X.; Chen, W.; Wee, A. T. S. Structural and Electronic Properties of PTCDA Thin Films on Epitaxial Graphene ACS Nano 2009, 3, 3431-3436 10.1021/nn9008615
-
(2009)
ACS Nano
, vol.3
, pp. 3431-3436
-
-
Huang, H.1
Chen, S.2
Gao, X.3
Chen, W.4
Wee, A.T.S.5
-
30
-
-
33646855619
-
Valence Electronic Structure of Gas-Phase 3,4,9,10-Perylene Tetracarboxylic Acid Dianhydride: Experiment and Theory
-
Dori, N.; Menon, M.; Kilian, L.; Sokolowski, M.; Kronik, L.; Umbach, E. Valence Electronic Structure of Gas-Phase 3,4,9,10-Perylene Tetracarboxylic Acid Dianhydride: Experiment and Theory Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 73, 195208 10.1103/PhysRevB.73.195208
-
(2006)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.73
, pp. 195208
-
-
Dori, N.1
Menon, M.2
Kilian, L.3
Sokolowski, M.4
Kronik, L.5
Umbach, E.6
-
31
-
-
81555213585
-
Barrier Height Formation for the PTCDA/Au (111) Interface
-
Martínez, J.; Abad, E.; Flores, F.; Ortega, J.; Brocks, G. Barrier Height Formation for the PTCDA/Au (111) Interface Chem. Phys. 2011, 390, 14-19 10.1016/j.chemphys.2011.09.018
-
(2011)
Chem. Phys.
, vol.390
, pp. 14-19
-
-
Martínez, J.1
Abad, E.2
Flores, F.3
Ortega, J.4
Brocks, G.5
-
32
-
-
79960645403
-
Van der Waals Density Functionals Applied to Solids
-
Klimeš, J.; Bowler, D. R.; Michaelides, A. Van der Waals Density Functionals Applied to Solids Phys. Rev. B: Condens. Matter Mater. Phys. 2011, 83, 195131 10.1103/PhysRevB.83.195131
-
(2011)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.83
, pp. 195131
-
-
Klimeš, J.1
Bowler, D.R.2
Michaelides, A.3
-
33
-
-
3242718844
-
Van der Waals Density Functional for General Geometries
-
Dion, M.; Rydberg, H.; Schröder, E.; Langreth, D. C.; Lundqvist, B. I. Van der Waals Density Functional for General Geometries Phys. Rev. Lett. 2004, 92, 246401 10.1103/PhysRevLett.92.246401
-
(2004)
Phys. Rev. Lett.
, vol.92
, pp. 246401
-
-
Dion, M.1
Rydberg, H.2
Schröder, E.3
Langreth, D.C.4
Lundqvist, B.I.5
-
34
-
-
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, 1787-99 10.1002/jcc.20495
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787-1799
-
-
Grimme, S.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 10.1103/PhysRevLett.77.3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
36
-
-
84858682572
-
Quasiparticle and Optical Spectroscopy of the Organic Semiconductors Pentacene and PTCDA from First Principles
-
Sharifzadeh, S.; Biller, A.; Kronik, L.; Neaton, J. B. Quasiparticle and Optical Spectroscopy of the Organic Semiconductors Pentacene and PTCDA from First Principles Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 85, 125307 10.1103/PhysRevB.85.125307
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.85
, pp. 125307
-
-
Sharifzadeh, S.1
Biller, A.2
Kronik, L.3
Neaton, J.B.4
-
37
-
-
25544479230
-
Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies
-
Hybertsen, M. S.; Louie, S. G. Electron Correlation in Semiconductors and Insulators: Band Gaps and Quasiparticle Energies Phys. Rev. B: Condens. Matter Mater. Phys. 1986, 34, 5390 10.1103/PhysRevB.34.5390
-
(1986)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
38
-
-
22144469121
-
Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids
-
Hedin, L.; Lundqvist, S. Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids Solid State Phys. 1970, 23, 1-181 10.1016/S0081-1947(08)60615-3
-
(1970)
Solid State Phys.
, vol.23
, pp. 1-181
-
-
Hedin, L.1
Lundqvist, S.2
-
40
-
-
84926678025
-
Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory
-
Egger, D. A.; Liu, Z.-F.; Neaton, J. B.; Kronik, L. Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional Theory Nano Lett. 2015, 15, 2448-2455 10.1021/nl504863r
-
(2015)
Nano Lett.
, vol.15
, pp. 2448-2455
-
-
Egger, D.A.1
Liu, Z.-F.2
Neaton, J.B.3
Kronik, L.4
-
41
-
-
36749039196
-
Amine-Gold Linked Single-Molecule Circuits: Experiment and Theory
-
Quek, S. Y.; Venkataraman, L.; Choi, H. J.; Louie, S. G.; Hybertsen, M. S.; Neaton, J. Amine-Gold Linked Single-Molecule Circuits: Experiment and Theory Nano Lett. 2007, 7, 3477-3482 10.1021/nl072058i
-
(2007)
Nano Lett.
, vol.7
, pp. 3477-3482
-
-
Quek, S.Y.1
Venkataraman, L.2
Choi, H.J.3
Louie, S.G.4
Hybertsen, M.S.5
Neaton, J.6
-
42
-
-
84901416918
-
First-principles Study of Quasiparticle Energies of a Bipolar Molecule in a Scanning Tunneling Microscope Measurement
-
Samsonidze, G.; Cohen, M. L.; Louie, S. G. First-principles Study of Quasiparticle Energies of a Bipolar Molecule in a Scanning Tunneling Microscope Measurement Comput. Mater. Sci. 2014, 91, 187-191 10.1016/j.commatsci.2014.04.049
-
(2014)
Comput. Mater. Sci.
, vol.91
, pp. 187-191
-
-
Samsonidze, G.1
Cohen, M.L.2
Louie, S.G.3
-
43
-
-
48249148315
-
Electronic Energy Levels of Weakly Coupled Nanostructures:C60-Metal Interfaces
-
Sau, J. D.; Neaton, J. B.; Choi, H. J.; Louie, S. G.; Cohen, M. L. Electronic Energy Levels of Weakly Coupled Nanostructures:C60-Metal Interfaces Phys. Rev. Lett. 2008, 101, 026804 10.1103/PhysRevLett.101.026804
-
(2008)
Phys. Rev. Lett.
, vol.101
, pp. 026804
-
-
Sau, J.D.1
Neaton, J.B.2
Choi, H.J.3
Louie, S.G.4
Cohen, M.L.5
-
44
-
-
0007083226
-
Quasiparticle Energies in Clusters Determined via Total-Energy Differences: Application to C60 and Na4
-
Cappellini, G.; Casula, F.; Yang, J.; Bechstedt, F. Quasiparticle Energies in Clusters Determined via Total-Energy Differences: Application to C60 and Na4 Phys. Rev. B: Condens. Matter Mater. Phys. 1997, 56, 3628 10.1103/PhysRevB.56.3628
-
(1997)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.56
, pp. 3628
-
-
Cappellini, G.1
Casula, F.2
Yang, J.3
Bechstedt, F.4
-
45
-
-
51149210200
-
The Density Functional Formalism, Its Applications and Prospects
-
Jones, R. O.; Gunnarsson, O. The Density Functional Formalism, Its Applications and Prospects Rev. Mod. Phys. 1989, 61, 689-746 10.1103/RevModPhys.61.689
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689-746
-
-
Jones, R.O.1
Gunnarsson, O.2
-
46
-
-
4243732923
-
Dynamic Image Potential at an Al(111) Surface
-
White, I.; Godby, R.; Rieger, M.; Needs, R. Dynamic Image Potential at an Al(111) Surface Phys. Rev. Lett. 1998, 80, 4265 10.1103/PhysRevLett.80.4265
-
(1998)
Phys. Rev. Lett.
, vol.80
, pp. 4265
-
-
White, I.1
Godby, R.2
Rieger, M.3
Needs, R.4
-
47
-
-
84884898036
-
Electronic and Optical Gap Renormalization in Carbon Nanotubes Near a Metallic Surface
-
Spataru, C. D. Electronic and Optical Gap Renormalization in Carbon Nanotubes Near a Metallic Surface Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 88, 125412 10.1103/PhysRevB.88.125412
-
(2013)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.88
, pp. 125412
-
-
Spataru, C.D.1
-
48
-
-
84865072579
-
Band Renormalization of a Polymer Physisorbed on Graphene Investigated by Many-Body Perturbation Theory
-
Puschnig, P.; Amiri, P.; Draxl, C. Band Renormalization of a Polymer Physisorbed on Graphene Investigated by Many-Body Perturbation Theory Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 085107 10.1103/PhysRevB.86.085107
-
(2012)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.86
, pp. 085107
-
-
Puschnig, P.1
Amiri, P.2
Draxl, C.3
-
49
-
-
84893479161
-
2 Monolayers and Device Applications
-
2 Monolayers and Device Applications ACS Nano 2014, 8, 923-930 10.1021/nn405719x
-
(2014)
ACS Nano
, vol.8
, pp. 923-930
-
-
Huang, J.K.1
Pu, J.2
Hsu, C.L.3
Chiu, M.H.4
Juang, Z.Y.5
Chang, Y.H.6
Chang, W.H.7
Iwasa, Y.8
Takenobu, T.9
Li, L.J.10
-
50
-
-
2442537377
-
Efficient Iterative Schemes for ab initio Total-Energy Calculations Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, 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 10.1103/PhysRevB.54.11169
-
(1996)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
51
-
-
0030190741
-
Efficiency of ab-initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
-
Kresse, G.; Furthmüller, 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 10.1016/0927-0256(96)00008-0
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
52
-
-
84857703319
-
BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures
-
Deslippe, J.; Samsonidze, G.; Strubbe, D. A.; Jain, M.; Cohen, M. L.; Louie, S. G. BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures Comput. Phys. Commun. 2012, 183, 1269-1289 10.1016/j.cpc.2011.12.006
-
(2012)
Comput. Phys. Commun.
, vol.183
, pp. 1269-1289
-
-
Deslippe, J.1
Samsonidze, G.2
Strubbe, D.A.3
Jain, M.4
Cohen, M.L.5
Louie, S.G.6
-
53
-
-
70349568754
-
QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials
-
Giannozzi, P.; Baroni, S.; Bonini, N.; 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. et al. QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502 10.1088/0953-8984/21/39/395502
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
Baroni, S.2
Bonini, N.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
more..
-
54
-
-
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: Condens. Matter Mater. Phys. 1981, 23, 5048 10.1103/PhysRevB.23.5048
-
(1981)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
55
-
-
84877056268
-
Coulomb-Hole Summations and Energies for GW Calculations with Limited Number of Empty Orbitals: A Modified Static Remainder Approach
-
Deslippe, J.; Samsonidze, G.; Jain, M.; Cohen, M. L.; Louie, S. G. Coulomb-Hole Summations and Energies for GW Calculations with Limited Number of Empty Orbitals: A Modified Static Remainder Approach Phys. Rev. B: Condens. Matter Mater. Phys. 2013, 87, 165124 10.1103/PhysRevB.87.165124
-
(2013)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.87
, pp. 165124
-
-
Deslippe, J.1
Samsonidze, G.2
Jain, M.3
Cohen, M.L.4
Louie, S.G.5
-
56
-
-
33751157732
-
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
-
Stephens, P.; Devlin, F.; Chabalowski, C.; Frisch, M. J. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields J. Phys. Chem. 1994, 98, 11623-11627 10.1021/j100096a001
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.1
Devlin, F.2
Chabalowski, C.3
Frisch, M.J.4
|