-
2
-
-
35748932911
-
Nanoelectronics from the bottom up
-
Lu, W. & Lieber, C. M. Nanoelectronics from the bottom up. Nat. Mater. 6, 841-850 (2007).
-
(2007)
Nat. Mater.
, vol.6
, pp. 841-850
-
-
Lu, W.1
Lieber, C.M.2
-
3
-
-
35748974883
-
Nanoionics-based resistive switching memories
-
Waser, R. & Aono, M. Nanoionics-based resistive switching memories. Nat. Mater. 6, 833-840 (2007).
-
(2007)
Nat. Mater.
, vol.6
, pp. 833-840
-
-
Waser, R.1
Aono, M.2
-
4
-
-
36348982062
-
Structure and bonding of large aromatic molecules on noble metal surfaces: The example of PTCDA
-
Tautz, F. S. Structure and bonding of large aromatic molecules on noble metal surfaces: The example of PTCDA. Prog. Surf. Sci. 82, 479-520 (2007).
-
(2007)
Prog. Surf. Sci.
, vol.82
, pp. 479-520
-
-
Tautz, F.S.1
-
5
-
-
44949179519
-
Adsorption-induced intramolecular dipole: Correlating molecular conformation and interface electronic structure
-
Koch, N. et al. Adsorption-induced intramolecular dipole: Correlating molecular conformation and interface electronic structure. J. Am. Chem. Soc. 130, 7300-7304 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 7300-7304
-
-
Koch, N.1
-
6
-
-
35948951767
-
Current-induced hydrogen tautomerization and conductance switching of naphthalocyanine molecules
-
Liljeroth, P., Repp, J. & Meyer, G. Current-induced hydrogen tautomerization and conductance switching of naphthalocyanine molecules. Science 317, 1203-1206 (2007).
-
(2007)
Science
, vol.317
, pp. 1203-1206
-
-
Liljeroth, P.1
Repp, J.2
Meyer, G.3
-
7
-
-
79959655390
-
Switching individual molecules by light and electrons: From isomerisation to chirality flip
-
Morgenstern, K. Switching individual molecules by light and electrons: From isomerisation to chirality flip. Prog. Surf. Sci. 86, 115-161 (2011).
-
(2011)
Prog. Surf. Sci.
, vol.86
, pp. 115-161
-
-
Morgenstern, K.1
-
8
-
-
84873533490
-
Azobenzene photoswitches for staudinger-bertozzi ligation
-
Szymanski, W., Wu, B., Poloni, C., Janssen, D. B. & Feringa, B. L. Azobenzene photoswitches for staudinger-bertozzi ligation. Angew. Chem. Int. Ed. 52, 2068-2072 (2013).
-
(2013)
Angew. Chem. Int. Ed.
, vol.52
, pp. 2068-2072
-
-
Szymanski, W.1
Wu, B.2
Poloni, C.3
Janssen, D.B.4
Feringa, B.L.5
-
9
-
-
33646349469
-
Conformational molecular switch of the azobenzene molecule: A scanning tunneling microscopy study
-
Choi, B. Y. et al. Conformational molecular switch of the azobenzene molecule: A scanning tunneling microscopy study. Phys. Rev. Lett. 96, 156106 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 156106
-
-
Choi, B.Y.1
-
10
-
-
74549145149
-
Structure and energetics of azobenzene on Ag(111): Benchmarking semiempirical dispersion correction approaches
-
Mercurio, G. et al. Structure and energetics of azobenzene on Ag(111): benchmarking semiempirical dispersion correction approaches. Phys. Rev. Lett. 104, 36102 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 36102
-
-
Mercurio, G.1
-
11
-
-
84865961582
-
Effect of tether conductivity on the efficiency of photoisomerization of azobenzene-functionalized molecules on Au{111}
-
Pathem, B. K. et al. Effect of tether conductivity on the efficiency of photoisomerization of azobenzene-functionalized molecules on Au{111}. J. Phys. Chem. Lett. 3, 2388-2394 (2012).
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 2388-2394
-
-
Pathem, B.K.1
-
12
-
-
84870016762
-
Bistability loss as a key feature in azobenzene (non-)switching on metal surfaces
-
Maurer, R. J. & Reuter, K. Bistability loss as a key feature in azobenzene (non-)switching on metal surfaces. Angew. Chem. Int. Ed. 51, 12009-12011 (2012).
-
(2012)
Angew. Chem. Int. Ed.
, vol.51
, pp. 12009-12011
-
-
Maurer, R.J.1
Reuter, K.2
-
13
-
-
84859148994
-
Reversible single-molecule switching in an ordered monolayer molecular dipole array
-
Huang, Y. L. et al. Reversible single-molecule switching in an ordered monolayer molecular dipole array. Small 8, 1423-1428 (2012).
-
(2012)
Small
, vol.8
, pp. 1423-1428
-
-
Huang, Y.L.1
-
14
-
-
84859622351
-
Imaging the charge distribution within a single molecule
-
Mohn, F., Gross, L., Moll, N. & Meyer, G. Imaging the charge distribution within a single molecule. Nat. Nanotech. 7, 227-231 (2012).
-
(2012)
Nat. Nanotech.
, vol.7
, pp. 227-231
-
-
Mohn, F.1
Gross, L.2
Moll, N.3
Meyer, G.4
-
15
-
-
79959784696
-
Light driven reactions of single physisorbed azobenzenes
-
Bazarnik, M., Henzl, J., Czajka, R. & Morgenstern, K. Light driven reactions of single physisorbed azobenzenes. Chem. Commun. 47, 7764-7766 (2011).
-
(2011)
Chem. Commun.
, vol.47
, pp. 7764-7766
-
-
Bazarnik, M.1
Henzl, J.2
Czajka, R.3
Morgenstern, K.4
-
16
-
-
33646404077
-
A reversible molecular switch based on pattern-change in chlorobenzene and toluene on a Si(111)-(7 x 7) surface
-
Lu, X., Polanyi, J. C. & Yang, J. S. Y. A reversible molecular switch based on pattern-change in chlorobenzene and toluene on a Si(111)-(7 x 7) surface. Nano Lett. 6, 809-814 (2006).
-
(2006)
Nano Lett.
, vol.6
, pp. 809-814
-
-
Lu, X.1
Polanyi, J.C.2
Yang, J.S.Y.3
-
17
-
-
41349119376
-
Measuring reversible photomechanical switching rates for a molecule at a surface
-
Comstock, M. J. et al. Measuring reversible photomechanical switching rates for a molecule at a surface. Appl. Phys. Lett. 92, 123107-123107 (2008).
-
(2008)
Appl. Phys. Lett.
, vol.92
, pp. 123107-123107
-
-
Comstock, M.J.1
-
18
-
-
0034298308
-
Transport of adsorbates at metal surfaces: From thermal migration to hot precursors
-
Barth, J. V. Transport of adsorbates at metal surfaces: From thermal migration to hot precursors. Surf. Sci. Rep. 40, 75-149 (2000).
-
(2000)
Surf. Sci. Rep.
, vol.40
, pp. 75-149
-
-
Barth, J.V.1
-
19
-
-
36149017821
-
The evaporation of atoms, ions and electrons from caesium films on tungsten
-
Taylor, J. B. & Langmuir, I. The evaporation of atoms, ions and electrons from caesium films on tungsten. Phys. Rev. 44, 423 (1933).
-
(1933)
Phys. Rev.
, vol.44
, pp. 423
-
-
Taylor, J.B.1
Langmuir, I.2
-
20
-
-
0345928282
-
The sticking probabilities of gases chemisorbed on the surfaces of solids
-
Kisliuk, P. The sticking probabilities of gases chemisorbed on the surfaces of solids. J. Phys. Chem. Solids 3, 95-101 (1957).
-
(1957)
J. Phys. Chem. Solids
, vol.3
, pp. 95-101
-
-
Kisliuk, P.1
-
21
-
-
0032559216
-
Isolation of an intrinsic precursor to molecular chemisorption
-
Brown, D. E., Moffatt, D. J. & Wolkow, R. A. Isolation of an intrinsic precursor to molecular chemisorption. Science 279, 542-544 (1998).
-
(1998)
Science
, vol.279
, pp. 542-544
-
-
Brown, D.E.1
Moffatt, D.J.2
Wolkow, R.A.3
-
22
-
-
84857697633
-
Screened van der Waals interactions: The key to accurately model the structure of hybrid inorganic/organic systems
-
Ruiz, V. G., Liu, W., Zojer, E., Scheffler, M. & Tkatchenko, A. Screened van der Waals interactions: the key to accurately model the structure of hybrid inorganic/organic systems. Phys. Rev. Lett. 108, 146103 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 146103
-
-
Ruiz, V.G.1
Liu, W.2
Zojer, E.3
Scheffler, M.4
Tkatchenko, A.5
-
23
-
-
84871062092
-
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
-
Liu, W. et al. Benzene adsorbed on metals: concerted effect of covalency and van der Waals bonding. Phys. Rev. B 86, 245405 (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 245405
-
-
Liu, W.1
-
24
-
-
84856966014
-
Adsorption of polyvinylpyrrolidone on Ag surfaces: Insight into a structure-directing agent
-
Al-Saidi, W. A., Feng, H. & Fichthorn, K. A. Adsorption of polyvinylpyrrolidone on Ag surfaces: insight into a structure-directing agent. Nano Lett. 12, 997-1001 (2012).
-
(2012)
Nano Lett.
, vol.12
, pp. 997-1001
-
-
Al-Saidi, W.A.1
Feng, H.2
Fichthorn, K.A.3
-
25
-
-
84865264548
-
Measurement of the binding energies of the organic-metal perylene-teracarboxylic-dianhydride/Au(111) bonds by molecular manipulation using an atomic force microscope
-
Wagner, C., Fournier, N., Tautz, F. S. & Temirov, R. Measurement of the binding energies of the organic-metal perylene-teracarboxylic-dianhydride/ Au(111) bonds by molecular manipulation using an atomic force microscope. Phys. Rev. Lett. 109, 076102 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.109
, pp. 076102
-
-
Wagner, C.1
Fournier, N.2
Tautz, F.S.3
Temirov, R.4
-
26
-
-
84866718623
-
Metal/molecule interfaces: Dispersion forces unveiled
-
van Ruitenbeek, J. Metal/molecule interfaces: Dispersion forces unveiled. Nat. Mater. 11, 834-835 (2012).
-
(2012)
Nat. Mater.
, vol.11
, pp. 834-835
-
-
Van Ruitenbeek, J.1
-
27
-
-
84872696881
-
The role of van der Waals forces in water adsorption on metals
-
Carrasco, J., Klimeš, J. & Michaelides, A. The role of van der Waals forces in water adsorption on metals. J. Chem. Phys. 138, 024708 (2013).
-
(2013)
J. Chem. Phys.
, vol.138
, pp. 024708
-
-
Carrasco, J.1
Klimeš, J.2
Michaelides, A.3
-
28
-
-
0142008382
-
A generalized synchronous transit method for transition state location
-
Govind, N., Petersen, M., Fitzgerald, G., King-Smith, D. & Andzelm, J. A generalized synchronous transit method for transition state location. Comp. Mater. Sci. 28, 250-258 (2003).
-
(2003)
Comp. Mater. Sci.
, vol.28
, pp. 250-258
-
-
Govind, N.1
Petersen, M.2
Fitzgerald, G.3
King-Smith, D.4
Andzelm, J.5
-
29
-
-
20144380685
-
First principles methods using CASTEP
-
Clark, S. J. et al. First principles methods using CASTEP. Z. Kristallogr. 220, 567-570 (2005).
-
(2005)
Z. Kristallogr.
, vol.220
, pp. 567-570
-
-
Clark, S.J.1
-
30
-
-
0037799714
-
Hybrid functionals based on a screened coulomb potential
-
Heyd, J., Scuseria, G. E. & Ernzerhof, M. Hybrid functionals based on a screened coulomb potential. J. Chem. Phys. 118, 8207 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 8207
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
31
-
-
72249104051
-
Chemical accuracy for the van der Waals density functional
-
Klimeš, J., Bowler, D. R. & Michaelides, A. Chemical accuracy for the van der Waals density functional. J. Phys. Condens. Matter 22, 022201 (2010).
-
(2010)
J. Phys. Condens. Matter
, vol.22
, pp. 022201
-
-
Klimeš, J.1
Bowler, D.R.2
Michaelides, A.3
-
32
-
-
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 54, 8207-8215 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 8207-8215
-
-
Kresse, G.1
Furthmüller, J.2
-
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. 92, 246401 (2004).
-
(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
-
-
18344373200
-
Theory and application for the scanning tunneling microscope
-
Tersoff, J. & Hamann, D. R. Theory and application for the scanning tunneling microscope. Phys. Rev. Lett. 50, 1998-2001 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.50
, pp. 1998-2001
-
-
Tersoff, J.1
Hamann, D.R.2
-
35
-
-
42449146532
-
Understanding the properties of interfaces between organic self-assembled monolayers and noble metals - A theoretical perspective
-
Rangger, G. M., Romaner, L., Heimel, G. & Zojer, E. Understanding the properties of interfaces between organic self-assembled monolayers and noble metals - a theoretical perspective. Surf. Interface Anal. 40, 371-378 (2008).
-
(2008)
Surf. Interface Anal.
, vol.40
, pp. 371-378
-
-
Rangger, G.M.1
Romaner, L.2
Heimel, G.3
Zojer, E.4
-
36
-
-
5044231886
-
Calorimetric measurement of the heat of adsorption of benzene on Pt(111)
-
Ihm, H., Ajo, H. M., Gottfried, J. M., Bera, P. & Campbell, C. T. Calorimetric measurement of the heat of adsorption of benzene on Pt(111). J. Phys. Chem. B 108, 14627-14633 (2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 14627-14633
-
-
Ihm, H.1
Ajo, H.M.2
Gottfried, J.M.3
Bera, P.4
Campbell, C.T.5
-
37
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.1
Burke, K.2
Ernzerhof, M.3
-
38
-
-
70149102016
-
Ab initio molecular simulations with numeric atom-centered orbitals
-
Blum, V. et al. Ab initio molecular simulations with numeric atom-centered orbitals. Comp. Phys. Comm. 180, 2175-2196 (2009).
-
(2009)
Comp. Phys. Comm.
, vol.180
, pp. 2175-2196
-
-
Blum, V.1
-
39
-
-
61349180195
-
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data
-
Tkatchenko, A. & Scheffler, M. Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data. Phys. Rev. Lett. 102, 073005 (2009).
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 073005
-
-
Tkatchenko, A.1
Scheffler, M.2
-
40
-
-
0002779092
-
The theory of molecular attractive forces between solids
-
Lifshitz, E. M. The theory of molecular attractive forces between solids. Sov. Phys. JETP 2, 73-83 (1956).
-
(1956)
Sov. Phys. JETP
, vol.2
, pp. 73-83
-
-
Lifshitz, E.M.1
-
41
-
-
26744451143
-
Van der Waals interaction between an atom and a solid surface
-
Zaremba, E. & Kohn, W. Van der Waals interaction between an atom and a solid surface. Phys. Rev. B 13, 2270 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 2270
-
-
Zaremba, E.1
Kohn, W.2
-
42
-
-
2942550208
-
Relativistic total energy using regular approximations
-
van Lenthe, E., Baerends, E.-J. & Snijders, J. G. Relativistic total energy using regular approximations. J. Chem. Phys. 101, 9783 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 9783
-
-
Van Lenthe, E.1
Baerends, E.-J.2
Snijders, J.G.3
-
43
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
44
-
-
84879022212
-
Structure and energetics of benzene adsorbed on transition-metal surfaces: Density-functional theory with van der Waals interactions including collective substrate response
-
Liu, W. et al. Structure and energetics of benzene adsorbed on transition-metal surfaces: Density-functional theory with van der Waals interactions including collective substrate response. New J. Phys. 15, 053046 (2013).
-
(2013)
New J. Phys.
, vol.15
, pp. 053046
-
-
Liu, W.1
-
45
-
-
0026413460
-
A diffuse LEED study of the adsorption structure of disordered benzene on Pt(111)
-
Wander, A. et al. A diffuse LEED study of the adsorption structure of disordered benzene on Pt(111). Surf. Sci. 249, 21-34 (1991).
-
(1991)
Surf. Sci.
, vol.249
, pp. 21-34
-
-
Wander, A.1
|