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Physical Review B - Condensed Matter and Materials Physics

Volumn 89, Issue 4, 2014, Pages

Comparison of van der Waals corrected and sparse-matter density functionals for the metal-free phthalocyanine/gold interface

(5) Lüder, Johann a Sanyal, Biplab a Eriksson, Olle a Puglia, Carla a Brena, Barbara a

a UPPSALA UNIVERSITY (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84893064744 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.89.045416 Document Type: Article

Times cited : (38)

References (115)

1
- 84862138840
- 0079-6816 PSSFBP 10.1016/j.progsurf.2012.05.001
- A. Turchanin and A. Gölzhäuser, Prog. Surf. Sci. 87, 108 (2012). 0079-6816 PSSFBP 10.1016/j.progsurf.2012.05.001
- (2012) Prog. Surf. Sci. , vol.87 , pp. 108
- Turchanin, A.¹ Gölzhäuser, A.²

2
- 0034571041
- 1525-7797 BOMAF6 10.1021/bm005586w
- M. R. Caplan, P. N. Moore, S. Zhang, R. D. Kamm, and D. A. Lauffenburger, Biomacromolecules 1, 627 (2000). 1525-7797 BOMAF6 10.1021/bm005586w
- (2000) Biomacromolecules , vol.1 , pp. 627
- Caplan, M.R.¹ Moore, P.N.² Zhang, S.³ Kamm, R.D.⁴ Lauffenburger, D.A.⁵

3
- 84867266670
- 0953-8984 JCOMEL 10.1088/0953-8984/24/42/424217
- F. Hanke, M. S. Dyer, J. Bjrk, and M. Persson, J. Phys.: Condens. Matter 24, 424217 (2012). 0953-8984 JCOMEL 10.1088/0953-8984/24/42/424217
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424217
- Hanke, F.¹ Dyer, M.S.² Bjrk, J.³ Persson, M.⁴

4
- 77955112192
- 1463-9076 PPCPFQ 10.1039/c003660a
- J. Bjork, M. Matena, M. S. Dyer, M. Enache, J. Lobo-Checa, L. H. Gade, T. A. Jung, M. Stohr, and M. Persson, Phys. Chem. Chem. Phys. 12, 8815 (2010). 1463-9076 PPCPFQ 10.1039/c003660a
- (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 8815
- Bjork, J.¹ Matena, M.² Dyer, M.S.³ Enache, M.⁴ Lobo-Checa, J.⁵ Gade, L.H.⁶ Jung, T.A.⁷ Stohr, M.⁸ Persson, M.⁹

5
- 35548932867
- Importance of Van der Waals interaction for organic molecule-metal junctions: Adsorption of thiophene on Cu(110) as a prototype
- DOI 10.1103/PhysRevLett.99.176401
- P. Sony, P. Puschnig, D. Nabok, and C. Ambrosch-Draxl, Phys. Rev. Lett. 99, 176401 (2007). 0031-9007 PRLTAO 10.1103/PhysRevLett.99.176401 (Pubitemid 350015159)
- (2007) Physical Review Letters , vol.99 , Issue.17 , pp. 176401
- Sony, P.¹ Puschnig, P.² Nabok, D.³ Ambrosch-Draxl, C.⁴

6
- 0029530264
- 0040-6090 THSFAP 10.1016/0040-6090(95)06673-X
- M. Passard, J. P. Blanc, and C. Maleysson, Thin Solid Films 271, 8 (1995). 0040-6090 THSFAP 10.1016/0040-6090(95)06673-X
- (1995) Thin Solid Films , vol.271 , pp. 8
- Passard, M.¹ Blanc, J.P.² Maleysson, C.³

7
- 84914324258
- 0033-4545 PACHAS 10.1351/pac198961091625
- J. Simon and C. Sirlin, Pure Appl. Chem. 61, 1625 (1989). 0033-4545 PACHAS 10.1351/pac198961091625
- (1989) Pure Appl. Chem. , vol.61 , pp. 1625
- Simon, J.¹ Sirlin, C.²

8
- 0019601475
- Phthalocyanine organic solar cells. Indium/x-Metal free phthalocyanine schottky barriers
- DOI 10.1063/1.329425
- R. O. Loutfy, J. H. Sharp, C. K. Hsiao, and R. Ho, J. Appl. Phys. 52, 5218 (1981). 0021-8979 JAPIAU 10.1063/1.329425 (Pubitemid 12431142)
- (1981) Journal of Applied Physics , vol.52 , Issue.8 , pp. 5218-5230
- Loutfy, R.O.¹ Sharp, J.H.² Hsiao, C.K.³ Ho, R.⁴

9
- 77957898877
- 10.1021/jz100852a
- G. Mattioli, F. Filippone, and A. A. Bonapasta, J. Phys. Chem. Lett. 1, 2757 (2010). 10.1021/jz100852a
- (2010) J. Phys. Chem. Lett. , vol.1 , pp. 2757
- Mattioli, G.¹ Filippone, F.² Bonapasta, A.A.³

10
- 34547342741
- Substrate-induced magnetic ordering and switching of iron porphyrin molecules
- DOI 10.1038/nmat1932, PII NMAT1932
- H. Wende, M. Bernien, J. Luo, C. Sorg, N. Ponpandian, J. Kurde, J. Miguel, M. Piantek, X. Xu, Ph. Eckhold, W. Kuch, K. Baberschke, P. M. Panchmatia, B. Sanyal, P. M. Oppeneer, and O. Eriksson, Nature 6, 516 (2007). 10.1038/nmat1932 (Pubitemid 47143455)
- (2007) Nature Materials , vol.6 , Issue.7 , pp. 516-520
- Wende, H.¹ Bernien, M.² Luo, J.³ Sorg, C.⁴ Ponpandian, N.⁵ Kurde, J.⁶ Miguel, J.⁷ Piantek, M.⁸ Xu, X.⁹ Eckhold, Ph.¹⁰ Kuch, W.¹¹ Baberschke, K.¹² Panchmatia, P.M.¹³ Sanyal, B.¹⁴ Oppeneer, P.M.¹⁵ Eriksson, O.¹⁶

11
- 33847353060
- 1748-3387 10.1038/nnano.2006.45
- W. R. Browne and B. L. Feringa, Nat Nano 1, 25 (2006). 1748-3387 10.1038/nnano.2006.45
- (2006) Nat Nano , vol.1 , pp. 25
- Browne, W.R.¹ Feringa, B.L.²

12
- 60449109171
- 0031-9007 PRLTAO 10.1103/PhysRevLett.102.047202
- M. Bernien, J. Miguel, C. Weis, M. E. Ali, J. Kurde, B. Krumme, P. M. Panchmatia, B. Sanyal, M. Piantek, P. Srivastava, K. Baberschke, P. M. Oppeneer, O. Eriksson, W. Kuch, and H. Wende, Phys. Rev. Lett. 102, 047202 (2009). 0031-9007 PRLTAO 10.1103/PhysRevLett.102.047202
- (2009) Phys. Rev. Lett. , vol.102 , pp. 047202
- Bernien, M.¹ Miguel, J.² Weis, C.³ Ali, M.E.⁴ Kurde, J.⁵ Krumme, B.⁶ Panchmatia, P.M.⁷ Sanyal, B.⁸ Piantek, M.⁹ Srivastava, P.¹⁰ Baberschke, K.¹¹ Oppeneer, P.M.¹² Eriksson, O.¹³ Kuch, W.¹⁴ Wende, H.¹⁵

13
- 78650604504
- 2041-1723 10.1038/ncomms1057
- C. Wäckerlin, D. Chylarecka, A. Kleibert, K. Müller, C. Iacovita, F. Nolting, T. A. Jung, and N. Ballav, Nat. Commun. 1, 1 (2010). 2041-1723 10.1038/ncomms1057
- (2010) Nat. Commun. , vol.1 , pp. 1
- Wäckerlin, C.¹ Chylarecka, D.² Kleibert, A.³ Müller, K.⁴ Iacovita, C.⁵ Nolting, F.⁶ Jung, T.A.⁷ Ballav, N.⁸

14
- 84886046368
- 0021-9606 JCPSA6 10.1063/1.4809725
- I. Bidermane, J. Luder, S. Boudet, T. Zhang, S. Ahmadi, C. Grazioli, M. Bouvet, J. Rusz, B. Sanyal, O. Eriksson, B. Brena, C. Puglia, and N. Witkowski, J. Chem. Phys. 138, 234701 (2013). 0021-9606 JCPSA6 10.1063/1.4809725
- (2013) J. Chem. Phys. , vol.138 , pp. 234701
- Bidermane, I.¹ Luder, J.² Boudet, S.³ Zhang, T.⁴ Ahmadi, S.⁵ Grazioli, C.⁶ Bouvet, M.⁷ Rusz, J.⁸ Sanyal, B.⁹ Eriksson, O.¹⁰ Brena, B.¹¹ Puglia, C.¹² Witkowski, N.¹³

15
- 77954905144
- 0031-9007 PRLTAO 10.1103/PhysRevLett.105.047204
- J. Brede, N. Atodiresei, S. Kuck, P. Lazic, V. Caciuc, and Y. Morikawa, G. Hoffmann, S. Blugel, and R. Wiesendanger, Phys. Rev. Lett. 105, 047204 (2010). 0031-9007 PRLTAO 10.1103/PhysRevLett.105.047204
- (2010) Phys. Rev. Lett. , vol.105 , pp. 047204
- Brede, J.¹ Atodiresei, N.² Kuck, S.³ Lazic, P.⁴ Caciuc, V.⁵ Morikawa, Y.⁶ Hoffmann, G.⁷ Blugel, S.⁸ Wiesendanger, R.⁹

16
- 10844237163
- Functional dependence of core-excitation energies
- DOI 10.1063/1.1809610
- O. Takahashi and L. G. M. Pettersson, J. Chem. Phys. 121, 10339 (2004). 0021-9606 JCPSA6 10.1063/1.1809610 (Pubitemid 40001575)
- (2004) Journal of Chemical Physics , vol.121 , Issue.21 , pp. 10339-10345
- Takahashi, O.¹ Pettersson, L.G.M.²

17
- 84861873145
- 0031-9007 PRLTAO 10.1103/PhysRevLett.108.236402
- A. Tkatchenko, R. A. DiStasio, R. Car, and M. Scheffler, Phys. Rev. Lett. 108, 236402 (2012). 0031-9007 PRLTAO 10.1103/PhysRevLett.108.236402
- (2012) Phys. Rev. Lett. , vol.108 , pp. 236402
- Tkatchenko, A.¹ Distasio, R.A.² Car, R.³ Scheffler, M.⁴

18
- 3242718844
- 0031-9007 PRLTAO 10.1103/PhysRevLett.92.246401
- M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004). 0031-9007 PRLTAO 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

19
- 77957555812
- 1098-0121 PRBMDO 10.1103/PhysRevB.82.081101
- K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 82, 081101 (2010). 1098-0121 PRBMDO 10.1103/PhysRevB.82.081101
- (2010) Phys. Rev. B , vol.82 , pp. 081101
- Lee, K.¹ Murray, E.D.² Kong, L.³ Lundqvist, B.I.⁴ Langreth, D.C.⁵

20
- 33750559983
- Semiempirical GGA-type density functional constructed with a long-range dispersion correction
- DOI 10.1002/jcc.20495
- S. Grimme, J. Comput. Chem. 27, 1787 (2006). 0192-8651 JCCHDD 10.1002/jcc.20495 (Pubitemid 44672561)
- (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
- Grimme, S.¹

21
- 79960645403
- 1098-0121 PRBMDO 10.1103/PhysRevB.83.195131
- J. Klimeš, D. R. Bowler, and A. Michaelides, Phys. Rev. B 83, 195131 (2011). 1098-0121 PRBMDO 10.1103/PhysRevB.83.195131
- (2011) Phys. Rev. B , vol.83 , pp. 195131
- Klimeš, J.¹ Bowler, D.R.² Michaelides, A.³

22
- 72249104051
- 0953-8984 JCOMEL 10.1088/0953-8984/22/2/022201
- J. Klimes, D. R. Bowler, and A. Michaelides, J. Phys.: Condens. Matter 22, 022201 (2010). 0953-8984 JCOMEL 10.1088/0953-8984/22/2/022201
- (2010) J. Phys.: Condens. Matter , vol.22 , pp. 022201
- Klimes, J.¹ Bowler, D.R.² Michaelides, A.³

23
- 78649745347
- 1098-0121 PRBMDO 10.1103/PhysRevB.82.201410
- D. Sun, D.-H. Kim, D. Le, O. Borck, K. Berland, K. Kim, W. Lu, Y. Zhu, M. Luo, J. Wyrick, Z. Cheng, T. L. Einstein, T. S. Rahman, P. Hyldgaard, and L. Bartels, Phys. Rev. B 82, 201410 (2010). 1098-0121 PRBMDO 10.1103/PhysRevB.82. 201410
- (2010) Phys. Rev. B , vol.82 , pp. 201410
- Sun, D.¹ Kim, D.-H.² Le, D.³ Borck, O.⁴ Berland, K.⁵ Kim, K.⁶ Lu, W.⁷ Zhu, Y.⁸ Luo, M.⁹ Wyrick, J.¹⁰ Cheng, Z.¹¹ Einstein, T.L.¹² Rahman, T.S.¹³ Hyldgaard, P.¹⁴ Bartels, L.¹⁵

24
- 34648834821
- 1098-0121 PRBMDO 10.1103/PhysRevB.76.125112
- T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth, Phys. Rev. B 76, 125112 (2007). 1098-0121 PRBMDO 10.1103/PhysRevB.76. 125112
- (2007) Phys. Rev. B , vol.76 , pp. 125112
- Thonhauser, T.¹ Cooper, V.R.² Li, S.³ Puzder, A.⁴ Hyldgaard, P.⁵ Langreth, D.C.⁶

25
- 72449171692
- 1098-0121 PRBMDO 10.1103/PhysRevB.80.155431
- K. Berland, T. L. Einstein, and P. Hyldgaard, Phys. Rev. B 80, 155431 (2009). 1098-0121 PRBMDO 10.1103/PhysRevB.80.155431
- (2009) Phys. Rev. B , vol.80 , pp. 155431
- Berland, K.¹ Einstein, T.L.² Hyldgaard, P.³

26
- 84871062092
- 1098-0121 PRBMDO 10.1103/PhysRevB.86.245405
- W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko, Phys. Rev. B 86, 245405 (2012). 1098-0121 PRBMDO 10.1103/PhysRevB.86.245405
- (2012) Phys. Rev. B , vol.86 , pp. 245405
- Liu, W.¹ Carrasco, J.² Santra, B.³ Michaelides, A.⁴ Scheffler, M.⁵ Tkatchenko, A.⁶

27
- 80455149729
- 1098-0121 PRBMDO 10.1103/PhysRevB.84.155451
- A. Bergvall, K. Berland, P. Hyldgaard, S. Kubatkin, and T. Löfwander, Phys. Rev. B 84, 155451 (2011). 1098-0121 PRBMDO 10.1103/PhysRevB.84.155451
- (2011) Phys. Rev. B , vol.84 , pp. 155451
- Bergvall, A.¹ Berland, K.² Hyldgaard, P.³ Kubatkin, S.⁴ Löfwander, T.⁵

28
- 67649535644
- 1367-2630 NJOPFM 10.1088/1367-2630/11/5/053010
- L. Romaner, D. Nabok, P. Puschnig, E. Zojer, and C. Ambrosch-Draxl, New J. Phys. 11, 053010 (2009). 1367-2630 NJOPFM 10.1088/1367-2630/11/5/053010
- (2009) New J. Phys. , vol.11 , pp. 053010
- Romaner, L.¹ Nabok, D.² Puschnig, P.³ Zojer, E.⁴ Ambrosch-Draxl, C.⁵

29
- 84857697633
- 0031-9007 PRLTAO 10.1103/PhysRevLett.108.146103
- V. G. Ruiz, W. Liu, E. Zojer, M. Scheffler, and A. Tkatchenko, Phys. Rev. Lett. 108, 146103 (2012). 0031-9007 PRLTAO 10.1103/PhysRevLett.108.146103
- (2012) Phys. Rev. Lett. , vol.108 , pp. 146103
- Ruiz, V.G.¹ Liu, W.² Zojer, E.³ Scheffler, M.⁴ Tkatchenko, A.⁵

30
- 84868680231
- 0021-9606 JCPSA6 10.1063/1.4764356
- J. Akesson, O. Sundborg, O. Wahlstrom, and E. Schroder, J. Chem. Phys. 137, 174702 (2012). 0021-9606 JCPSA6 10.1063/1.4764356
- (2012) J. Chem. Phys. , vol.137 , pp. 174702
- Akesson, J.¹ Sundborg, O.² Wahlstrom, O.³ Schroder, E.⁴

31
- 84867240286
- 0953-8984 JCOMEL 10.1088/0953-8984/24/42/424210
- D. Le, A. Kara, E. Schrder, P. Hyldgaard, and T. S. Rahman, J. Phys.: Condens. Matter 24, 424210 (2012). 0953-8984 JCOMEL 10.1088/0953-8984/24/42/ 424210
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424210
- Le, D.¹ Kara, A.² Schrder, E.³ Hyldgaard, P.⁴ Rahman, T.S.⁵

32
- 84859022855
- 1098-0121 PRBMDO 10.1103/PhysRevB.85.121409
- G. Li, I. Tamblyn, V. R. Cooper, H.-J. Gao, and J. B. Neaton, Phys. Rev. B 85, 121409 (2012). 1098-0121 PRBMDO 10.1103/PhysRevB.85.121409
- (2012) Phys. Rev. B , vol.85 , pp. 121409
- Li, G.¹ Tamblyn, I.² Cooper, V.R.³ Gao, H.-J.⁴ Neaton, J.B.⁵

33
- 84874530244
- 0021-9606 JCPSA6 10.1063/1.4789814
- A. Tkatchenko, A. Ambrosetti, and R. A. DiStasio, J. Chem. Phys. 138, 074106 (2013). 0021-9606 JCPSA6 10.1063/1.4789814
- (2013) J. Chem. Phys. , vol.138 , pp. 074106
- Tkatchenko, A.¹ Ambrosetti, A.² Distasio, R.A.³

34
- 47149083673
- 1932-7447 10.1021/jp711122w
- Y. Bai, F. Buchner, M. T. Wendahl, I. Kellner, A. Bayer, H.-P. Steinrück, H. Marbach, and J. M. Gottfried, J. Phys. Chem. C 112, 6087 (2008). 1932-7447 10.1021/jp711122w
- (2008) J. Phys. Chem. C , vol.112 , pp. 6087
- Bai, Y.¹ Buchner, F.² Wendahl, M.T.³ Kellner, I.⁴ Bayer, A.⁵ Steinrück, H.-P.⁶ Marbach, H.⁷ Gottfried, J.M.⁸

35
- 84867868540
- 1476-1122 10.1038/nmat3453
- F. Sedona, M. D. Marino, D. Forrer, A. Vittadini, M. Casarin, A. Cossaro, L. Floreano, A. Verdini, and M. Sambi, Nat. Mater. 11, 970 (2012). 1476-1122 10.1038/nmat3453
- (2012) Nat. Mater. , vol.11 , pp. 970
- Sedona, F.¹ Marino, M.D.² Forrer, D.³ Vittadini, A.⁴ Casarin, M.⁵ Cossaro, A.⁶ Floreano, L.⁷ Verdini, A.⁸ Sambi, M.⁹

36
- 84873967869
- 1932-7447 10.1021/jp309943k
- D. A. Egger, V. G. Ruiz, W. A. Saidi, T. Buško, A. Tkatchenko, and E. Zojer, J. Phys. Chem. C 117, 3055 (2013). 1932-7447 10.1021/jp309943k
- (2013) J. Phys. Chem. C , vol.117 , pp. 3055
- Egger, D.A.¹ Ruiz, V.G.² Saidi, W.A.³ Buško, T.⁴ Tkatchenko, A.⁵ Zojer, E.⁶

37
- 84866690911
- 1476-1122 10.1038/nmat3403
- S. V. Aradhya, M. Frei, M. S. Hybertsen, and L. Venkataraman, Nat. Mater. 11, 872 (2012). 1476-1122 10.1038/nmat3403
- (2012) Nat. Mater. , vol.11 , pp. 872
- Aradhya, S.V.¹ Frei, M.² Hybertsen, M.S.³ Venkataraman, L.⁴

38
- 33846096421
- Self-ordering of metal-free phthalocyanine on InAs(100) and InSb(100)
- DOI 10.1088/0953-8984/18/48/001, PII S0953898406273260, 001
- P. Palmgren, B. R. Priya, N. P. P. Niraj, and M. Göthelid, J. Phys.: Condens. Matter 18, 10707 (2006). 0953-8984 JCOMEL 10.1088/0953-8984/18/48/001 (Pubitemid 46069819)
- (2006) Journal of Physics Condensed Matter , vol.18 , Issue.48 , pp. 10707-10723
- Palmgren, P.¹ Priya, B.R.² Niraj, N.P.P.³ Gothelid, M.⁴

39
- 0001270437
- 10.1107/S0108270198009718
- T. Matsunaga, Y. Ohno, Y. Akutsu, M. Arai, M. Tamura, and M. Iida, Acta Crystallog. Sec. C 55, 129 (1999). 10.1107/S0108270198009718
- (1999) Acta Crystallog. Sec. C , vol.55 , pp. 129
- Matsunaga, T.¹ Ohno, Y.² Akutsu, Y.³ Arai, M.⁴ Tamura, M.⁵ Iida, M.⁶

40
- 3042592143
- 1520-6106 JPCBFK 10.1021/jp037751i
- T. G. Gopakumar, M. Lackinger, M. Hackert, F. Muller, and M. Hietschold, J. Phys. Chem. B 108, 7839 (2004). 1520-6106 JPCBFK 10.1021/jp037751i
- (2004) J. Phys. Chem. B , vol.108 , pp. 7839
- Gopakumar, T.G.¹ Lackinger, M.² Hackert, M.³ Muller, F.⁴ Hietschold, M.⁵

41
- 21344450504
- Electronic structure of a vapor-deposited metal-free phthalocyanine thin film
- DOI 10.1063/1.1924539, 214723
- Y. Alfredsson, B. Brena, K. Nilson, J. Åhlund, L. Kjeldgaard, M. Nyberg, Y. Luo, N. Mårtensson, A. Sandell, C. Puglia, and H. Siegbahn, J. Chem. Phys. 122, 214723 (2005). 0021-9606 JCPSA6 10.1063/1.1924539 (Pubitemid 40902539)
- (2005) Journal of Chemical Physics , vol.122 , Issue.21 , pp. 1-6
- Alfredsson, Y.¹ Brena, B.² Nilson, K.³ Ahlund, J.⁴ Kjeldgaard, L.⁵ Nyberg, M.⁶ Luo, Y.⁷ Martensson, N.⁸ Sandell, A.⁹ Puglia, C.¹⁰ Siegbahn, H.¹¹

42
- 80051947405
- 1932-7447 10.1021/jp203252r
- K. R. A. Nishida, B. Wiggins, K. W. Hipps, and U. Mazur, J. Phys. Chem. C 115, 16305 (2011). 1932-7447 10.1021/jp203252r
- (2011) J. Phys. Chem. C , vol.115 , pp. 16305
- Nishida, K.R.A.¹ Wiggins, B.² Hipps, K.W.³ Mazur, U.⁴

43
- 77954692670
- 1932-7447 10.1021/jp910180y
- K. Nilson, J. Åhlund, M. N. Shariati, E. Göthelid, P. Palmgren, J. Schiessling, S. Berner, N. Mårtensson, and C. Puglia, J. Phys. Chem. C 114, 12166 (2010). 1932-7447 10.1021/jp910180y
- (2010) J. Phys. Chem. C , vol.114 , pp. 12166
- Nilson, K.¹ Åhlund, J.² Shariati, M.N.³ Göthelid, E.⁴ Palmgren, P.⁵ Schiessling, J.⁶ Berner, S.⁷ Mårtensson, N.⁸ Puglia, C.⁹

44
- 84876280066
- 1932-7447 10.1021/jp307626n
- M.-N. Shariati, J. Lüder, I. Bidermane, S. Ahmadi, E. Göthelid, P. Pålmgren, B. Sanyal, O. Eriksson, M. N. Piancastelli, B. Brena, and C. Puglia, J. Phys. Chem. C 117, 7018 (2013). 1932-7447 10.1021/jp307626n
- (2013) J. Phys. Chem. C , vol.117 , pp. 7018
- Shariati, M.-N.¹ Lüder, J.² Bidermane, I.³ Ahmadi, S.⁴ Göthelid, E.⁵ Pålmgren, P.⁶ Sanyal, B.⁷ Eriksson, O.⁸ Piancastelli, M.N.⁹ Brena, B.¹⁰ Puglia, C.¹¹

45
- 0042113153
- 0031-899X PHRVAO 10.1103/PhysRev.140.A1133
- W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 0031-899X PHRVAO 10.1103/PhysRev.140.A1133
- (1965) Phys. Rev. , vol.140
- Kohn, W.¹ Sham, L.J.²

46
- 10644250257
- 0031-899X PHRVAO 10.1103/PhysRev.136.B864
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). 0031-899X PHRVAO 10.1103/PhysRev.136.B864
- (1964) Phys. Rev. , vol.136
- Hohenberg, P.¹ Kohn, W.²

47
- 79960548216
- 0021-9606 JCPSA6 10.1063/1.3599088
- W. D. Wheeler, B. A. Parkinson, and Y. Dahnovsky, J. Chem. Phys. 135, 024702 (2011). 0021-9606 JCPSA6 10.1063/1.3599088
- (2011) J. Chem. Phys. , vol.135 , pp. 024702
- Wheeler, W.D.¹ Parkinson, B.A.² Dahnovsky, Y.³

48
- 77953607324
- 0021-9606 JCPSA6 10.1063/1.3439691
- K. Tonigold and A. Groß, J. Chem. Phys. 132, 224701 (2010). 0021-9606 JCPSA6 10.1063/1.3439691
- (2010) J. Chem. Phys. , vol.132 , pp. 224701
- Tonigold, K.¹ Groß, A.²

49
- 79551613314
- 0021-9606 JCPSA6 10.1063/1.3521271
- E. Abad, Y. J. Dappe, J. I. Martínez, F. Flores, and J. Ortega, J. Chem. Phys. 134, 044701 (2011). 0021-9606 JCPSA6 10.1063/1.3521271
- (2011) J. Chem. Phys. , vol.134 , pp. 044701
- Abad, E.¹ Dappe, Y.J.² Martínez, J.I.³ Flores, F.⁴ Ortega, J.⁵

50
- 79961065930
- 1098-0121 PRBMDO 10.1103/PhysRevB.83.115419
- J. T. Sun, L. Gao, X. B. He, Z. H. Cheng, Z. T. Deng, X. Lin, H. Hu, S. X. Du, F. Liu, and H.-J. Gao, Phys. Rev. 83, 115419 (2011). 1098-0121 PRBMDO 10.1103/PhysRevB.83.115419
- (2011) Phys. Rev. , vol.83 , pp. 115419
- Sun, J.T.¹ Gao, L.² He, X.B.³ Cheng, Z.H.⁴ Deng, Z.T.⁵ Lin, X.⁶ Hu, H.⁷ Du, S.X.⁸ Liu, F.⁹ Gao, H.-J.¹⁰

51
- 84865173830
- 0953-8984 JCOMEL 10.1088/0953-8984/24/35/354003
- T. R. Umbach, I. Fernandez-Torrente, J. N. Ladenthin, J. I. Pascual, and K. J. Franke, J. Phys.: Condens. Matter 24, 354003 (2012). 0953-8984 JCOMEL 10.1088/0953-8984/24/35/354003
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 354003
- Umbach, T.R.¹ Fernandez-Torrente, I.² Ladenthin, J.N.³ Pascual, J.I.⁴ Franke, K.J.⁵

52
- 77955581177
- 1998-0124 10.1007/s12274-010-0021-9
- Y. Zhang, P. Guan, H. Isshiki, M. Chen, M. Yamashita, and T. Komeda, Nano Res. 3, 604 (2010). 1998-0124 10.1007/s12274-010-0021-9
- (2010) Nano Res. , vol.3 , pp. 604
- Zhang, Y.¹ Guan, P.² Isshiki, H.³ Chen, M.⁴ Yamashita, M.⁵ Komeda, T.⁶

53
- 84869492135
- 1567-1739 10.1016/j.cap.2012.06.021
- Y. Morikawa, K. Toyoda, I. Hamada, S. Yanagisawa, and K. Lee, Curr. Appl. Phys. 12, S2 (2012). 1567-1739 10.1016/j.cap.2012.06.021
- (2012) Curr. Appl. Phys. , vol.12
- Morikawa, Y.¹ Toyoda, K.² Hamada, I.³ Yanagisawa, S.⁴ Lee, K.⁵

54
- 0030218597
- 0022-3654 JPCHAX 10.1021/jp960669l
- W. Kohn, A. D. Becke, and R. G. Parr, J. Phys. Chem. 100, 12974 (1996). 0022-3654 JPCHAX 10.1021/jp960669l
- (1996) J. Phys. Chem. , vol.100 , pp. 12974
- Kohn, W.¹ Becke, A.D.² Parr, R.G.³

55
- 33744691386
- 0031-9007 PRLTAO 10.1103/PhysRevLett.45.566
- D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980). 0031-9007 PRLTAO 10.1103/PhysRevLett.45.566
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

56
- 4243943295
- 0031-9007 PRLTAO 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 0031-9007 PRLTAO 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

57
- 38949121770
- Van der Waals interactions in DFT made easy by wannier dunctions
- DOI 10.1103/PhysRevLett.100.053002
- P. L. Silvestrelli, Phys. Rev. Lett. 100, 053002 (2008). 0031-9007 PRLTAO 10.1103/PhysRevLett.100.053002 (Pubitemid 351230706)
- (2008) Physical Review Letters , vol.100 , Issue.5 , pp. 053002
- Silvestrelli, P.L.¹

58
- 0035891306
- Towards extending the applicability of density functional theory to weakly bound systems
- DOI 10.1063/1.1412004
- X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, J. Chem. Phys. 115, 8748 (2001). 0021-9606 JCPSA6 10.1063/1.1412004 (Pubitemid 33102901)
- (2001) Journal of Chemical Physics , vol.115 , Issue.19 , pp. 8748-8757
- Wu, X.¹ Vargas, M.C.² Nayak, S.³ Lotrich, V.⁴ Scoles, G.⁵

59
- 33744596259
- 0163-1829 PRBMDO 10.1103/PhysRevB.28.1809
- D. C. Langreth and M. J. Mehl, Phys. Rev. B 28, 1809 (1983). 0163-1829 PRBMDO 10.1103/PhysRevB.28.1809
- (1983) Phys. Rev. B , vol.28 , pp. 1809
- Langreth, D.C.¹ Mehl, M.J.²

60
- 84867256438
- 0953-8984 JCOMEL 10.1088/0953-8984/24/42/424218
- T. Bjrkman, A. Gulans, A. V. Krasheninnikov, and R. M. Nieminen, J. Phys.: Condens. Matter 24, 424218 (2012). 0953-8984 JCOMEL 10.1088/0953-8984/24/ 42/424218
- (2012) J. Phys.: Condens. Matter , vol.24 , pp. 424218
- Bjrkman, T.¹ Gulans, A.² Krasheninnikov, A.V.³ Nieminen, R.M.⁴

61
- 3142771297
- 0009-2614 CHPLBC 10.1016/j.cplett.2004.06.011
- T. Yanai, D. P. Tew, and N. C. Handy, Chem. Phys. Lett. 393, 51 (2004). 0009-2614 CHPLBC 10.1016/j.cplett.2004.06.011
- (2004) Chem. Phys. Lett. , vol.393 , pp. 51
- Yanai, T.¹ Tew, D.P.² Handy, N.C.³

62
- 61349180195
- 0031-9007 PRLTAO 10.1103/PhysRevLett.102.073005
- A. Tkatchenko and M. Scheffler, Phys. Rev. Lett. 102, 073005 (2009). 0031-9007 PRLTAO 10.1103/PhysRevLett.102.073005
- (2009) Phys. Rev. Lett. , vol.102 , pp. 073005
- Tkatchenko, A.¹ Scheffler, M.²

63
- 80052948995
- 10.1088/0953-8984/23/39/395001
- M. Amft, S. Lebègue, O. Eriksson, and N. V. Skorodumova, J. Phys.: Condens. Matter 23, 395001 (2011). 10.1088/0953-8984/23/39/395001
- (2011) J. Phys.: Condens. Matter , vol.23 , pp. 395001
- Amft, M.¹ Lebègue, S.² Eriksson, O.³ Skorodumova, N.V.⁴

64
- 84860523063
- 1932-7447 10.1021/jp210771d
- J. D. Baran and J. A. Larsson, J. Phys. Chem. C 116, 9487 (2012). 1932-7447 10.1021/jp210771d
- (2012) J. Phys. Chem. C , vol.116 , pp. 9487
- Baran, J.D.¹ Larsson, J.A.²

65
- 84856201040
- 10.1021/nn203952e
- Q. Li, C. Han, S. R. Horton, M. Fuentes-Cabrera, B. G. Sumpter, W. Lu, J. Bernholc, P. Maksymovych, and M. Pan, ACS Nano 6, 566 (2012). 10.1021/nn203952e
- (2012) ACS Nano , vol.6 , pp. 566
- Li, Q.¹ Han, C.² Horton, S.R.³ Fuentes-Cabrera, M.⁴ Sumpter, B.G.⁵ Lu, W.⁶ Bernholc, J.⁷ Maksymovych, P.⁸ Pan, M.⁹

66
- 84859022855
- 121409 (R). 0163-1829 PRBMDO 10.1103/PhysRevB.85.121409
- G. Li, I. Tamblyn, V. R. Cooper, H.-J. Gao, and J. B. Neaton, Phys. Rev. B 85, 121409 (R) (2012). 0163-1829 PRBMDO 10.1103/PhysRevB.85.121409
- (2012) Phys. Rev. B , vol.85
- Li, G.¹ Tamblyn, I.² Cooper, V.R.³ Gao, H.-J.⁴ Neaton, J.B.⁵

67
- 0000624025
- F. London, Z. Phys. Chem. (Leipzig) B11, 222 (1930).
- (1930) Z. Phys. Chem. (Leipzig) , vol.11 , pp. 222
- London, F.¹

68
- 7544236336
- 0034-6861 RMPHAT 10.1103/RevModPhys.11.1
- H. Margenau, Rev. Mod. Phys. 11, 1 (1939). 0034-6861 RMPHAT 10.1103/RevModPhys.11.1
- (1939) Rev. Mod. Phys. , vol.11 , pp. 1
- Margenau, H.¹

69
- 36149011366
- 10.1103/PhysRev.73.360
- H. B. G. Casimir and D. Polder, Phys. Rev. 73, 360 (1948). 10.1103/PhysRev.73.360
- (1948) Phys. Rev. , vol.73 , pp. 360
- Casimir, H.B.G.¹ Polder, D.²

70
- 84874528678
- 1098-0121 PRBMDO 10.1103/PhysRevB.87.064110
- T. Bučko, S. Lebègue, J. Hafner, and J. G. Ángyán, Phys. Rev. B 87, 064110 (2013). 1098-0121 PRBMDO 10.1103/PhysRevB.87.064110
- (2013) Phys. Rev. B , vol.87 , pp. 064110
- Bučko, T.¹ Lebègue, S.² Hafner, J.³ Ángyán, J.G.⁴

71
- 0001293880
- 0305-4608 JPFMAT 10.1088/0305-4608/4/8/013
- J. Harris and R. O. Jones, J. Phys. F 4, 1170 (1974). 0305-4608 JPFMAT 10.1088/0305-4608/4/8/013
- (1974) J. Phys. F , vol.4 , pp. 1170
- Harris, J.¹ Jones, R.O.²

72
- 14344278811
- 0556-2805 10.1103/PhysRevB.15.2884
- D. C. Langreth and J. P. Perdew, Phys. Rev. B. 15, 2884 (1977). 0556-2805 10.1103/PhysRevB.15.2884
- (1977) Phys. Rev. B. , vol.15 , pp. 2884
- Langreth, D.C.¹ Perdew, J.P.²

73
- 84860479408
- 1098-0121 PRBMDO 10.1103/PhysRevB.85.165444
- M. K. Srivastava, Y. Wang, A. F. Kemper, and H.-P. Cheng, Phys. Rev. B 85, 165444 (2012). 1098-0121 PRBMDO 10.1103/PhysRevB.85.165444
- (2012) Phys. Rev. B , vol.85 , pp. 165444
- Srivastava, M.K.¹ Wang, Y.² Kemper, A.F.³ Cheng, H.-P.⁴

74
- 33645835183
- 0031-9007 PRLTAO 10.1103/PhysRevLett.96.146107
- S. D. Chakarova-Käck, E. Schröder, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. Lett. 96, 146107 (2006). 0031-9007 PRLTAO 10.1103/PhysRevLett.96.146107
- (2006) Phys. Rev. Lett. , vol.96 , pp. 146107
- Chakarova-Käck, S.D.¹ Schröder, E.² Lundqvist, B.I.³ Langreth, D.C.⁴

75
- 35448973258
- 1098-0121 PRBMDO 10.1103/PhysRevB.76.155425
- E. Ziambaras, J. Kleis, E. Schröder, and P. Hyldgaard, Phys. Rev. B 76, 155425 (2007). 1098-0121 PRBMDO 10.1103/PhysRevB.76.155425
- (2007) Phys. Rev. B , vol.76 , pp. 155425
- Ziambaras, E.¹ Kleis, J.² Schröder, E.³ Hyldgaard, P.⁴

76
- 0142219835
- 0031-9007 PRLTAO 10.1103/PhysRevLett.91.126402
- H. Rydberg, M. Dion, N. Jacobson, E. Schröder, P. Hyldgaard, S. I. Simak, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 91, 126402 (2003). 0031-9007 PRLTAO 10.1103/PhysRevLett.91.126402
- (2003) Phys. Rev. Lett. , vol.91 , pp. 126402
- Rydberg, H.¹ Dion, M.² Jacobson, N.³ Schröder, E.⁴ Hyldgaard, P.⁵ Simak, S.I.⁶ Langreth, D.C.⁷ Lundqvist, B.I.⁸

77
- 84877900276
- 1098-0121 PRBMDO 10.1103/PhysRevB.87.205421
- K. Berland and P. Hyldgaard, Phys. Rev. B 87, 205421 (2013). 1098-0121 PRBMDO 10.1103/PhysRevB.87.205421
- (2013) Phys. Rev. B , vol.87 , pp. 205421
- Berland, K.¹ Hyldgaard, P.²

78
- 65449177249
- 0953-8984 JCOMEL 10.1088/0953-8984/21/8/084203
- D. C. Langreth, B. I. Lundqvist, S. D. Chakarova-Kck, V. R. Cooper, M. Dion, P. Hyldgaard, A. Kelkkanen, J. Kleis, L. Kong, S. Li, P. G. Moses, E. Murray, A. Puzder, H. Rydberg, E. Schrder, and T. Thonhauser, J. Phys.: Condens. Matter 21, 084203 (2009). 0953-8984 JCOMEL 10.1088/0953-8984/21/8/084203
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 084203
- Langreth, D.C.¹ Lundqvist, B.I.² Chakarova-Kck, S.D.³ Cooper, V.R.⁴ Dion, M.⁵ Hyldgaard, P.⁶ Kelkkanen, A.⁷ Kleis, J.⁸ Kong, L.⁹ Li, S.¹⁰ Moses, P.G.¹¹ Murray, E.¹² Puzder, A.¹³ Rydberg, H.¹⁴ Schrder, E.¹⁵ Thonhauser, T.¹⁶

79
- 77249136861
- 1932-7447 10.1021/jp904260p
- M. Casarin, M. D. Marino, D. Forrer, M. Sambi, F. Sedona, E. Tondello, A. Vittadini, V. Barone, and M. Pavone, J. Phys. Chem. C 114, 2144 (2010). 1932-7447 10.1021/jp904260p
- (2010) J. Phys. Chem. C , vol.114 , pp. 2144
- Casarin, M.¹ Marino, M.D.² Forrer, D.³ Sambi, M.⁴ Sedona, F.⁵ Tondello, E.⁶ Vittadini, A.⁷ Barone, V.⁸ Pavone, M.⁹

80
- 84893142872
- V. Caciuc, N. Atodiresei, P. Lazí, Y. Morikawa, and S. Blügel, arXiv:0811.3088 v1 (2008)
- V. Caciuc, N. Atodiresei, P. Lazí, Y. Morikawa, and S. Blügel, arXiv:0811.3088 v1 (2008).

81
- 83455244831
- 1549-9618 10.1021/ct2005616
- N. Marom, A. Tkatchenko, M. Rossi, V. V. Gobre, O. Hod, M. Scheffler, and L. Kronik, J. Chem. Theory Comput. 7, 3944 (2011). 1549-9618 10.1021/ct2005616
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 3944
- Marom, N.¹ Tkatchenko, A.² Rossi, M.³ Gobre, V.V.⁴ Hod, O.⁵ Scheffler, M.⁶ Kronik, L.⁷

82
- 0004139650
- P. Eckerlin, H. Kandler, K.-H. Hellwege, and A. Hellwege, Structure Data of Elements and Intermetallic Phases (1971).
- (1971) Structure Data of Elements and Intermetallic Phases
- Eckerlin, P.¹ Kandler, H.² Hellwege, K.-H.³ Hellwege, A.⁴

83
- 33645898818
- 1098-0121 PRBMDO 10.1103/PhysRevB.45.13244
- J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 1098-0121 PRBMDO 10.1103/PhysRevB.45.13244
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

84
- 0001322105
- 0021-9606 JCPSA6 10.1063/1.472933
- J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996). 0021-9606 JCPSA6 10.1063/1.472933
- (1996) J. Chem. Phys. , vol.105 , pp. 9982
- Perdew, J.P.¹ Ernzerhof, M.² Burke, K.³

85
- 12844286241
- 0163-1829 PRBMDO 10.1103/PhysRevB.47.558
- G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 0163-1829 PRBMDO 10.1103/PhysRevB.47.558
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

86
- 27744460065
- 0163-1829 PRBMDO 10.1103/PhysRevB.49.14251
- G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994). 0163-1829 PRBMDO 10.1103/PhysRevB.49.14251
- (1994) Phys. Rev. B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

87
- 0030190741
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
- DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
- G. Kresse and J. Furthmüller, Comput. Mat. Sci. 6, 15 (1996). 0927-0256 CMMSEM 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
- (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
- Kresse, G.¹ Furthmuller, J.²

88
- 2442537377
- 0163-1829 PRBMDO 10.1103/PhysRevB.54.11169
- G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 0163-1829 PRBMDO 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

89
- 78049495810
- 1089-5639 JPCAFH 10.1021/jp106469x
- T. Bučko, S. Lebègue, J. Hafner, and J. G. Ángyán, J. Phys. Chem. A 114, 11814 (2010). 1089-5639 JPCAFH 10.1021/jp106469x
- (2010) J. Phys. Chem. A , vol.114 , pp. 11814
- Bučko, T.¹ Lebègue, S.² Hafner, J.³ Ángyán, J.G.⁴

90
- 25744460922
- 0163-1829 PRBMDO 10.1103/PhysRevB.50.17953
- P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 0163-1829 PRBMDO 10.1103/PhysRevB.50.17953
- (1994) Phys. Rev. B , vol.50 , pp. 17953
- Blöchl, P.E.¹

91
- 80755164443
- 1468-6996 10.1088/1468-6996/11/5/054602
- T. Komeda, H. Isshiki, and J. Liu, Sci. Technol. Adv. Mater. 11, 054602 (2010). 1468-6996 10.1088/1468-6996/11/5/054602
- (2010) Sci. Technol. Adv. Mater. , vol.11 , pp. 054602
- Komeda, T.¹ Isshiki, H.² Liu, J.³

92
- 52649088849
- 1932-7447 10.1021/jp8043048
- Z. Hu, B. Li, A. Zhao, J. Yang, and J. G. Hou, J. Phys. Chem. C 112, 13650 (2008). 1932-7447 10.1021/jp8043048
- (2008) J. Phys. Chem. C , vol.112 , pp. 13650
- Hu, Z.¹ Li, B.² Zhao, A.³ Yang, J.⁴ Hou, J.G.⁵

93
- 33748606013
- 0163-1829 PRBMDO 10.1103/PhysRevB.46.16067
- J. Neugebauer and M. Scheffler, Phys. Rev. B 46, 16067 (1992). 0163-1829 PRBMDO 10.1103/PhysRevB.46.16067
- (1992) Phys. Rev. B , vol.46 , pp. 16067
- Neugebauer, J.¹ Scheffler, M.²

94
- 29744441187
- First-principles studies of Au(100)-hex reconstruction in an electrochemical environment
- DOI 10.1103/PhysRevB.72.125401, 125401
- Y. J. Feng, K. P. Bohnen, and C. T. Chan, Phys. Rev. B 72, 125401 (2005). 1098-0121 PRBMDO 10.1103/PhysRevB.72.125401 (Pubitemid 43028983)
- (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.12 , pp. 1-8
- Feng, Y.J.¹ Bohnen, K.P.² Chan, C.T.³

95
- 67649389579
- 1098-0121 PRBMDO 10.1103/PhysRevB.75.233416
- Y. Wang, N. S. Hush, and J. R. Reimers, Phys. Rev. B 75, 233416 (2007). 1098-0121 PRBMDO 10.1103/PhysRevB.75.233416
- (2007) Phys. Rev. B , vol.75 , pp. 233416
- Wang, Y.¹ Hush, N.S.² Reimers, J.R.³

96
- 84866910754
- 0021-9606 JCPSA6 10.1063/1.4752235
- R. Nadler and J. F. Sanz, J. Chem. Phys. 137, 114709 (2012). 0021-9606 JCPSA6 10.1063/1.4752235
- (2012) J. Chem. Phys. , vol.137 , pp. 114709
- Nadler, R.¹ Sanz, J.F.²

97
- 84867525291
- 1932-7447 10.1021/jp305833c
- M. Rosa, S. Corni, and R. D. Felice, J. Phys. Chem. C 116, 21366 (2012). 1932-7447 10.1021/jp305833c
- (2012) J. Phys. Chem. C , vol.116 , pp. 21366
- Rosa, M.¹ Corni, S.² Felice, R.D.³

98
- 84856201040
- 1936-0851 10.1021/nn203952e
- Q. Li, C. Han, S. R. Horton, M. Fuentes-Cabrera, B. G. Sumpter, W. Lu, J. Bernholc, P. Maksymovych, and M. Pan, ACS Nano 6, 566 (2012). 1936-0851 10.1021/nn203952e
- (2012) ACS Nano , vol.6 , pp. 566
- Li, Q.¹ Han, C.² Horton, S.R.³ Fuentes-Cabrera, M.⁴ Sumpter, B.G.⁵ Lu, W.⁶ Bernholc, J.⁷ Maksymovych, P.⁸ Pan, M.⁹

99
- 80053919040
- 1098-0121 PRBMDO 10.1103/PhysRevB.84.125446
- Y. Y. Zhang, S. X. Du, and H.-J. Gao, Phys. Rev. B 84, 125446 (2011). 1098-0121 PRBMDO 10.1103/PhysRevB.84.125446
- (2011) Phys. Rev. B , vol.84 , pp. 125446
- Zhang, Y.Y.¹ Du, S.X.² Gao, H.-J.³

100
- 0037174417
- 0002-7863 JACSAT 10.1021/ja0265355
- L. M. Demers, M. stblom, H. Zhang, N.-H. Jang, B. Liedberg, and C. A. Mirkin, J. Am. Chem. Soc. 124, 11248 (2002). 0002-7863 JACSAT 10.1021/ja0265355
- (2002) J. Am. Chem. Soc. , vol.124 , pp. 11248
- Demers, L.M.¹ Stblom, M.² Zhang, H.³ Jang, N.-H.⁴ Liedberg, B.⁵ Mirkin, C.A.⁶

101
- 0035818110
- 1520-6106 JPCBFK 10.1021/jp012069e
- D. Syomin, J. Kim, B. E. Koel, and G. B. Ellison, J. Phys. Chem. B 105, 8387 (2001). 1520-6106 JPCBFK 10.1021/jp012069e
- (2001) J. Phys. Chem. B , vol.105 , pp. 8387
- Syomin, D.¹ Kim, J.² Koel, B.E.³ Ellison, G.B.⁴

102
- 79961107064
- 1098-0121 PRBMDO 10.1103/PhysRevB.83.195414
- I. Kröger, B. Stadtmüller, C. Kleimann, P. Rajput, and C. Kumpf, Phys. Rev. B 83, 195414 (2011). 1098-0121 PRBMDO 10.1103/PhysRevB.83. 195414
- (2011) Phys. Rev. B , vol.83 , pp. 195414
- Kröger, I.¹ Stadtmüller, B.² Kleimann, C.³ Rajput, P.⁴ Kumpf, C.⁵

103
- 84869038526
- 1098-0121 PRBMDO 10.1103/PhysRevB.86.195412
- I. Kröger, P. Bayersdorfer, B. Stadtmüller, C. Kleimann, and G. Mercurio, Phys. Rev. B 86, 195412 (2012). 1098-0121 PRBMDO 10.1103/PhysRevB.86. 195412
- (2012) Phys. Rev. B , vol.86 , pp. 195412
- Kröger, I.¹ Bayersdorfer, P.² Stadtmüller, B.³ Kleimann, C.⁴ Mercurio, G.⁵

104
- 44449148855
- Quenching of local magnetic moment in oxygen adsorbed graphene nanoribbons
- DOI 10.1063/1.2937453
- R. G. Veiga, R. H. Miwa, and G. P. Srivastava, J. Chem. Phys. 128, 201101 (2008). 0021-9606 JCPSA6 10.1063/1.2937453 (Pubitemid 351770608)
- (2008) Journal of Chemical Physics , vol.128 , Issue.20 , pp. 201101
- Veiga, R.G.A.¹ Miwa, R.H.² Srivastava, G.P.³

105
- 4043164887
- 0192-8651 JCCHDD 10.1002/jcc.20078
- S. Grimme, J. Comput. Chem. 25, 1463 (2004). 0192-8651 JCCHDD 10.1002/jcc.20078
- (2004) J. Comput. Chem. , vol.25 , pp. 1463
- Grimme, S.¹

106
- 4644234123
- 0021-9606 JCPSA6 10.1063/1.1779576
- X. Chu and A. Dalgarno, J. Chem. Phys. 121, 4083 (2004). 0021-9606 JCPSA6 10.1063/1.1779576
- (2004) J. Chem. Phys. , vol.121 , pp. 4083
- Chu, X.¹ Dalgarno, A.²

107
- 33644553465
- Asymptotics of the dispersion interaction: Analytic benchmarks for van der Waals energy functionals
- DOI 10.1103/PhysRevLett.96.073201, 073201
- J. F. Dobson, A. White, and A. Rubio, Phys. Rev. Lett. 96, 073201 (2006). 0031-9007 PRLTAO 10.1103/PhysRevLett.96.073201 (Pubitemid 43292548)
- (2006) Physical Review Letters , vol.96 , Issue.7 , pp. 1-4
- Dobson, J.F.¹ White, A.² Rubio, A.³

108
- 69549112978
- 0039-6028 SUSCAS 10.1016/j.susc.2009.07.039
- K. Toyoda, Y. Nakano, I. Hamada, K. Lee, S. Yanagisawa, and Y. Morikawa, Surf. Sci. 603, 2912 (2009). 0039-6028 SUSCAS 10.1016/j.susc.2009.07.039
- (2009) Surf. Sci. , vol.603 , pp. 2912
- Toyoda, K.¹ Nakano, Y.² Hamada, I.³ Lee, K.⁴ Yanagisawa, S.⁵ Morikawa, Y.⁶

109
- 84871062092
- 1098-0121 PRBMDO 10.1103/PhysRevB.86.245405
- W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko, Phys. Rev. B 86, 245405 (2012). 1098-0121 PRBMDO 10.1103/PhysRevB.86.245405
- (2012) Phys. Rev. B , vol.86 , pp. 245405
- Liu, W.¹ Carrasco, J.² Santra, B.³ Michaelides, A.⁴ Scheffler, M.⁵ Tkatchenko, A.⁶

110
- 33744607543
- 0163-1829 PRBMDO 10.1103/PhysRevB.31.805
- J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985). 0163-1829 PRBMDO 10.1103/PhysRevB.31.805
- (1985) Phys. Rev. B , vol.31 , pp. 805
- Tersoff, J.¹ Hamann, D.R.²

111
- 79952943455
- 1936-0851 10.1021/nn102610k
- M. S. Dyer, A. Robin, S. Haq, R. Raval, M. Persson, and J. Klimes, ACS Nano 5, 1831 (2011). 1936-0851 10.1021/nn102610k
- (2011) ACS Nano , vol.5 , pp. 1831
- Dyer, M.S.¹ Robin, A.² Haq, S.³ Raval, R.⁴ Persson, M.⁵ Klimes, J.⁶

112
- 82655172792
- 1098-0121 PRBMDO 10.1103/PhysRevB.84.195143
- N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky, and L. Kronik, Phys. Rev. B 84, 195143 (2011). 1098-0121 PRBMDO 10.1103/PhysRevB.84.195143
- (2011) Phys. Rev. B , vol.84 , pp. 195143
- Marom, N.¹ Ren, X.² Moussa, J.E.³ Chelikowsky, J.R.⁴ Kronik, L.⁵

113
- 0346190254
- 0021-9606 JCPSA6 10.1063/1.455251
- E. Ortí and J. L. Brédas, J. Chem. Phys. 89, 1009 (1988). 0021-9606 JCPSA6 10.1063/1.455251
- (1988) J. Chem. Phys. , vol.89 , pp. 1009
- Ortí, E.¹ Brédas, J.L.²

114
- 27144475250
- Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study
- DOI 10.1103/PhysRevLett.95.046804, 046804
- V. De Renzi, R. Rousseau, D. Marchetto, R. Biagi, S. Scandolo, and U. del Pennino, Phys. Rev. Lett. 95, 046804 (2005). 0031-9007 PRLTAO 10.1103/PhysRevLett.95.046804 (Pubitemid 41506235)
- (2005) Physical Review Letters , vol.95 , Issue.4 , pp. 1-4
- De Renzi, V.¹ Rousseau, R.² Marchetto, D.³ Biagi, R.⁴ Scandolo, S.⁵ Del Pennino, U.⁶

115
- 15744376839
- 0163-1829 PRBMDO 10.1103/PhysRevB.68.195408
- T. C. Leung, C. L. Kao, W. S. Su, Y. J. Feng, and C. T. Chan, Phys. Rev. B 68, 195408 (2003). 0163-1829 PRBMDO 10.1103/PhysRevB.68.195408
- (2003) Phys. Rev. B , vol.68 , pp. 195408
- Leung, T.C.¹ Kao, C.L.² Su, W.S.³ Feng, Y.J.⁴ Chan, C.T.⁵

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