-
1
-
-
35848951576
-
Methanol steam reforming for hydrogen production
-
10.1021/cr050198b
-
D. R. Palo, R. A. Dagle, and J. D. Holladay, " Methanol steam reforming for hydrogen production," Chem. Rev. 107, 3992-4021 (2007). 10.1021/cr050198b
-
(2007)
Chem. Rev.
, vol.107
, pp. 3992-4021
-
-
Palo, D.R.1
Dagle, R.A.2
Holladay, J.D.3
-
2
-
-
59949096766
-
Direct methanol fuel cells: Fundamentals, problems and perspectives
-
10.1007/978-0-387-46106-9-4
-
K. Scott and A. Shukla, " Direct methanol fuel cells: Fundamentals, problems and perspectives," Mod. Asp. Electrochem. 40, 127-227 (2007). 10.1007/978-0-387-46106-9-4
-
(2007)
Mod. Asp. Electrochem.
, vol.40
, pp. 127-227
-
-
Scott, K.1
Shukla, A.2
-
3
-
-
0019624078
-
Water adsorption on metal surfaces: An electrochemical viewpoint
-
10.1016/0042-207X(81)90043-9
-
J. Sass, K. Kretzschmar, and S. Holloway, " Water adsorption on metal surfaces: an electrochemical viewpoint," Vacuum 31, 483-486 (1981). 10.1016/0042-207X(81)90043-9
-
(1981)
Vacuum
, vol.31
, pp. 483-486
-
-
Sass, J.1
Kretzschmar, K.2
Holloway, S.3
-
4
-
-
0037043404
-
Transport diffusion of liquid water and methanol through membranes
-
10.1063/1.1483297
-
Q. Zhang, J. Zheng, A. Shevade, L. Zhang, S. H. Gehrke, G. S. Heffelfinger, and S. Jiang, " Transport diffusion of liquid water and methanol through membranes," J. Chem. Phys. 117, 808 (2002). 10.1063/1.1483297
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 808
-
-
Zhang, Q.1
Zheng, J.2
Shevade, A.3
Zhang, L.4
Gehrke, S.H.5
Heffelfinger, G.S.6
Jiang, S.7
-
5
-
-
84864327100
-
A molecular perspective of water at metal interfaces
-
10.1038/nmat3354
-
J. Carrasco, A. Hodgson, and A. Michaelides, " A molecular perspective of water at metal interfaces," Nat. Mater. 11, 667-674 (2012). 10.1038/nmat3354
-
(2012)
Nat. Mater.
, vol.11
, pp. 667-674
-
-
Carrasco, J.1
Hodgson, A.2
Michaelides, A.3
-
6
-
-
73249138898
-
Metal- and hydrogen-bonding competition during water adsorption on Pd(111) and Ru(0001)
-
10.1021/ja907468m
-
M. Tatarkhanov, D. F. Ogletree, F. Rose, T. Mitsui, E. Fomin, S. Maier, M. Rose, J. I. Cerdá, and M. Salmeron, " Metal- and hydrogen-bonding competition during water adsorption on Pd(111) and Ru(0001)," J. Am. Chem. Soc. 131, 18425-18434 (2009). 10.1021/ja907468m
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 18425-18434
-
-
Tatarkhanov, M.1
Ogletree, D.F.2
Rose, F.3
Mitsui, T.4
Fomin, E.5
Maier, S.6
Rose, M.7
Cerdá, J.I.8
Salmeron, M.9
-
7
-
-
42549124618
-
Direct observation of hydrogen-bond exchange within a single water dimer
-
10.1103/PhysRevLett.100.166101
-
T. Kumagai, M. Kaizu, S. Hatta, H. Okuyama, and T. Aruga, " Direct observation of hydrogen-bond exchange within a single water dimer," Phys. Rev. Lett. 100, 166101 (2008). 10.1103/PhysRevLett.100.166101
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 166101
-
-
Kumagai, T.1
Kaizu, M.2
Hatta, S.3
Okuyama, H.4
Aruga, T.5
-
8
-
-
0037203453
-
Structure and bonding of water on Pt(111)
-
10.1103/PhysRevLett.89.276102
-
H. Ogasawara, B. Brena, D. Nordlund, M. Nyberg, A. Pelmenschikov, L. Pettersson, and A. Nilsson, " Structure and bonding of water on Pt(111)," Phys. Rev. Lett. 89, 276102 (2002). 10.1103/PhysRevLett.89.276102
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 276102
-
-
Ogasawara, H.1
Brena, B.2
Nordlund, D.3
Nyberg, M.4
Pelmenschikov, A.5
Pettersson, L.6
Nilsson, A.7
-
9
-
-
34047275435
-
Charge control of the water monolayer/Pd interface
-
10.1016/j.cplett.2007.03.002
-
J. S. Filhol and M. L. Bocquet, " Charge control of the water monolayer/Pd interface," Chem. Phys. Lett. 438, 203-207 (2007). 10.1016/j.cplett.2007.03.002
-
(2007)
Chem. Phys. Lett.
, vol.438
, pp. 203-207
-
-
Filhol, J.S.1
Bocquet, M.L.2
-
10
-
-
80755168083
-
Hydrogen-bond imaging and engineering with a scanning tunnelling microscope
-
10.1088/0022-3727/44/46/464004
-
H. Okuyama and I. Hamada, " Hydrogen-bond imaging and engineering with a scanning tunnelling microscope," J. Phys. D 44, 464004 (2011). 10.1088/0022-3727/44/46/464004
-
(2011)
J. Phys. D
, vol.44
, pp. 464004
-
-
Okuyama, H.1
Hamada, I.2
-
11
-
-
33748264793
-
Water adsorption on metal surfaces: A general picture from density functional theory studies
-
10.1103/PhysRevB.69.195404
-
S. Meng, E. Wang, and S. Gao, " Water adsorption on metal surfaces: A general picture from density functional theory studies," Phys. Rev. B 69, 195404 (2004). 10.1103/PhysRevB.69.195404
-
(2004)
Phys. Rev. B
, vol.69
, pp. 195404
-
-
Meng, S.1
Wang, E.2
Gao, S.3
-
12
-
-
0142055513
-
The interaction of water with solid surfaces: Fundamental aspects
-
10.1016/0167-5729(87)90001-X
-
P. A. Thiel and T. E. Madey, " The interaction of water with solid surfaces: Fundamental aspects," Surf. Sci. Rep. 7, 211-385 (1987). 10.1016/0167-5729(87)90001-X
-
(1987)
Surf. Sci. Rep.
, vol.7
, pp. 211-385
-
-
Thiel, P.A.1
Madey, T.E.2
-
13
-
-
0036571188
-
The interaction of water with solid surfaces: Fundamental aspects revisited
-
10.1016/S0167-5729(01)00020-6
-
M. Henderson, " The interaction of water with solid surfaces: Fundamental aspects revisited," Surf. Sci. Rep. 46, 1-308 (2002). 10.1016/S0167-5729(01)00020-6
-
(2002)
Surf. Sci. Rep.
, vol.46
, pp. 1-308
-
-
Henderson, M.1
-
14
-
-
69549088663
-
Water adsorption and the wetting of metal surfaces
-
10.1016/j.surfre2009.07.001
-
A. Hodgson and S. Haq, " Water adsorption and the wetting of metal surfaces," Surf. Sci. Rep. 64, 381-451 (2009). 10.1016/j.surfrep.2009.07. 001
-
(2009)
Surf. Sci. Rep.
, vol.64
, pp. 381-451
-
-
Hodgson, A.1
Haq, S.2
-
15
-
-
33646409574
-
Molecular structure of water at interfaces: Wetting at the nanometer scale
-
10.1021/cr040376l
-
A. Verdaguer, G. M. Sacha, H. Bluhm, and M. Salmeron, " Molecular structure of water at interfaces: Wetting at the nanometer scale," Chem. Rev. 106, 1478-1510 (2006). 10.1021/cr040376l
-
(2006)
Chem. Rev.
, vol.106
, pp. 1478-1510
-
-
Verdaguer, A.1
Sacha, G.M.2
Bluhm, H.3
Salmeron, M.4
-
16
-
-
77950537214
-
Chemical bonding of water to metal surfaces studied with core-level spectroscopies
-
10.1016/j.elspec.2009.09.009
-
T. Schiros, K. J. Andersson, L. G. M. Pettersson, A. Nilsson, and H. Ogasawara, " Chemical bonding of water to metal surfaces studied with core-level spectroscopies," J. Electron Spectrosc. Relat. Phenom. 177, 85-98 (2010). 10.1016/j.elspec.2009.09.009
-
(2010)
J. Electron Spectrosc. Relat. Phenom.
, vol.177
, pp. 85-98
-
-
Schiros, T.1
Andersson, K.J.2
Pettersson, L.G.M.3
Nilsson, A.4
Ogasawara, H.5
-
17
-
-
33750176999
-
Density functional theory simulations of water-metal interfaces: Waltzing waters, a novel 2D ice phase, and more
-
10.1007/s00339-006-3695-9
-
A. Michaelides, " Density functional theory simulations of water-metal interfaces: Waltzing waters, a novel 2D ice phase, and more," Appl. Phys. A 85, 415-425 (2006). 10.1007/s00339-006-3695-9
-
(2006)
Appl. Phys. A
, vol.85
, pp. 415-425
-
-
Michaelides, A.1
-
18
-
-
62849085846
-
Concluding remarks
-
10.1039/b817311g
-
P. J. Feibelman, " Concluding remarks," Faraday Discuss. 141, 467 (2009). 10.1039/b817311g
-
(2009)
Faraday Discuss.
, vol.141
, pp. 467
-
-
Feibelman, P.J.1
-
19
-
-
34547558968
-
Ice nanoclusters at hydrophobic metal surfaces
-
10.1038/nmat1940
-
A. Michaelides and K. Morgenstern, " Ice nanoclusters at hydrophobic metal surfaces," Nat. Mater. 6, 597-601 (2007). 10.1038/nmat1940
-
(2007)
Nat. Mater.
, vol.6
, pp. 597-601
-
-
Michaelides, A.1
Morgenstern, K.2
-
20
-
-
33748323074
-
Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects
-
10.1016/j.susc.2006.05.053
-
G. Jones, S. J. Jenkins, and D. A. King, " Hydrogen bonds at metal surfaces: Universal scaling and quantification of substrate effects," Surf. Sci. 600, 224-228 (2006). 10.1016/j.susc.2006.05.053
-
(2006)
Surf. Sci.
, vol.600
, pp. 224-228
-
-
Jones, G.1
Jenkins, S.J.2
King, D.A.3
-
21
-
-
84874830428
-
Water and ammonia on Cu{110}: Comparative structure and bonding
-
10.1039/c3cp42658k
-
G. Jones and S. J. Jenkins, " Water and ammonia on Cu{110}: Comparative structure and bonding," Phys. Chem. Chem. Phys. 15, 4785-4798 (2013). 10.1039/c3cp42658k
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 4785-4798
-
-
Jones, G.1
Jenkins, S.J.2
-
22
-
-
0036536802
-
Formation of the cyclic ice hexamer via excitation of vibrational molecular modes by the scanning tunneling microscope
-
10.1063/1.1453965
-
K. Morgenstern and K.-H. Rieder, " Formation of the cyclic ice hexamer via excitation of vibrational molecular modes by the scanning tunneling microscope," J. Chem. Phys. 116, 5746 (2002). 10.1063/1.1453965
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 5746
-
-
Morgenstern, K.1
Rieder, K.-H.2
-
23
-
-
57049186563
-
Hydroxyl chain formation on the Cu(110) surface: Watching water dissociation
-
10.1021/jp807467x
-
J. Lee, D. C. Sorescu, K. D. Jordan, and J. T. Yates, " Hydroxyl chain formation on the Cu(110) surface: Watching water dissociation," J. Phys. Chem. C 112, 17672-17677 (2008). 10.1021/jp807467x
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 17672-17677
-
-
Lee, J.1
Sorescu, D.C.2
Jordan, K.D.3
Yates, J.T.4
-
24
-
-
53549110790
-
Vibrational study of water dimers on Pt(111) using a scanning tunneling microscope
-
10.1016/j.susc.2007.11.033
-
K. Motobayashi, C. Matsumoto, Y. Kim, and M. Kawai, " Vibrational study of water dimers on Pt(111) using a scanning tunneling microscope," Surf. Sci. 602, 3136-3139 (2008). 10.1016/j.susc.2007.11.033
-
(2008)
Surf. Sci.
, vol.602
, pp. 3136-3139
-
-
Motobayashi, K.1
Matsumoto, C.2
Kim, Y.3
Kawai, M.4
-
25
-
-
0037072623
-
Water diffusion and clustering on Pd(111)
-
10.1126/science.1075095
-
T. Mitsui, M. K. Rose, E. Fomin, D. F. Ogletree, and M. Salmeron, " Water diffusion and clustering on Pd(111)," Science 297, 1850-1852 (2002). 10.1126/science.1075095
-
(2002)
Science
, vol.297
, pp. 1850-1852
-
-
Mitsui, T.1
Rose, M.K.2
Fomin, E.3
Ogletree, D.F.4
Salmeron, M.5
-
26
-
-
0027553961
-
In situ observation of water adsorption on Si(100) with scanning tunneling microscopy
-
10.1016/0039-6028(93)90526-P
-
L. Andersohn and U. Köhler, " In situ observation of water adsorption on Si(100) with scanning tunneling microscopy," Surf. Sci. 284, 77-90 (1993). 10.1016/0039-6028(93)90526-P
-
(1993)
Surf. Sci.
, vol.284
, pp. 77-90
-
-
Andersohn, L.1
Köhler, U.2
-
27
-
-
0033963566
-
Formation of cyclic water hexamer in liquid helium: The smallest piece of ice
-
10.1126/science.287.5451.293
-
K. Nauta, " Formation of cyclic water hexamer in liquid helium: The smallest piece of ice," Science 287, 293-295 (2000). 10.1126/science.287. 5451.293
-
(2000)
Science
, vol.287
, pp. 293-295
-
-
Nauta, K.1
-
28
-
-
24944440305
-
Electronic excitation of ice monomers on Au(111) by scanning tunneling microscopy - Vibrational spectra and induced processes
-
10.1140/epjd/e2005-00224-4
-
H. Gawronski, K. Morgenstern, and K. H. Rieder, " Electronic excitation of ice monomers on Au(111) by scanning tunneling microscopy- Vibrational spectra and induced processes," Eur. Phys. J. D 35, 349-353 (2005). 10.1140/epjd/e2005-00224-4
-
(2005)
Eur. Phys. J. D
, vol.35
, pp. 349-353
-
-
Gawronski, H.1
Morgenstern, K.2
Rieder, K.H.3
-
29
-
-
84868091616
-
Chiral distortion of confined ice oligomers (N = 5,6)
-
10.1021/la302561r
-
H. Ma, Y. Ding, M. Iannuzzi, T. Brugger, S. Berner, J. Hutter, J. Osterwalder, and T. Greber, " Chiral distortion of confined ice oligomers (N = 5,6)," Langmuir 28, 15246-15250 (2012). 10.1021/la302561r
-
(2012)
Langmuir
, vol.28
, pp. 15246-15250
-
-
Ma, H.1
Ding, Y.2
Iannuzzi, M.3
Brugger, T.4
Berner, S.5
Hutter, J.6
Osterwalder, J.7
Greber, T.8
-
30
-
-
79960419022
-
Investigation of boron nitride nanomesh interacting with water
-
10.1021/jp110235y
-
Y. Ding, M. Iannuzzi, and J. Hutter, " Investigation of boron nitride nanomesh interacting with water," J. Phys. Chem. C 115, 13685-13692 (2011). 10.1021/jp110235y
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 13685-13692
-
-
Ding, Y.1
Iannuzzi, M.2
Hutter, J.3
-
31
-
-
33644962651
-
Growth of intact water ice on Ru(0001) between 140 and 160K: Experiment and density-functional theory calculations
-
10.1103/PhysRevB.73.115414
-
S. Haq, C. Clay, G. Darling, G. Zimbitas, and A. Hodgson, " Growth of intact water ice on Ru(0001) between 140 and 160K: Experiment and density-functional theory calculations," Phys. Rev. B 73, 115414 (2006). 10.1103/PhysRevB.73.115414
-
(2006)
Phys. Rev. B
, vol.73
, pp. 115414
-
-
Haq, S.1
Clay, C.2
Darling, G.3
Zimbitas, G.4
Hodgson, A.5
-
32
-
-
84871384142
-
Energetics of adsorbed methanol and methoxy on Pt(111) by microcalorimetry
-
10.1021/ja307465u
-
E. M. Karp, T. L. Silbaugh, M. C. Crowe, and C. T. Campbell, " Energetics of adsorbed methanol and methoxy on Pt(111) by microcalorimetry, " J. Am. Chem. Soc. 134, 20388-20395 (2012). 10.1021/ja307465u
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 20388-20395
-
-
Karp, E.M.1
Silbaugh, T.L.2
Crowe, M.C.3
Campbell, C.T.4
-
33
-
-
83655191163
-
Visualization of hydrogen bonding and associated chirality in methanol hexamers
-
10.1103/PhysRevLett.107.256101
-
T. J. Lawton, J. Carrasco, A. E. Baber, A. Michaelides, and E. C. H. Sykes, " Visualization of hydrogen bonding and associated chirality in methanol hexamers," Phys. Rev. Lett. 107, 256101 (2011). 10.1103/PhysRevLett.107.256101
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 256101
-
-
Lawton, T.J.1
Carrasco, J.2
Baber, A.E.3
Michaelides, A.4
Sykes, E.C.H.5
-
34
-
-
84864720671
-
Hydrogen-bonded assembly of methanol on Cu(111)
-
10.1039/c2cp41875d
-
T. J. Lawton, J. Carrasco, A. E. Baber, A. Michaelides, and E. C. H. Sykes, " Hydrogen-bonded assembly of methanol on Cu(111)," Phys. Chem. Chem. Phys. 14, 11846-11852 (2012). 10.1039/c2cp41875d
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 11846-11852
-
-
Lawton, T.J.1
Carrasco, J.2
Baber, A.E.3
Michaelides, A.4
Sykes, E.C.H.5
-
35
-
-
79955887490
-
Hydrogen-bonded networks in surface-bound methanol
-
10.1021/jp201465d
-
A. E. Baber, T. J. Lawton, and E. C. H. Sykes, " Hydrogen-bonded networks in surface-bound methanol," J. Phys. Chem. C 115, 9157-9163 (2011). 10.1021/jp201465d
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 9157-9163
-
-
Baber, A.E.1
Lawton, T.J.2
Sykes, E.C.H.3
-
36
-
-
0000554989
-
On the crystal structures, residual entropy and dielectric anomaly of methanol
-
10.1107/S0365110X52001696
-
K. J. Tauer and W. N. Lipscomb, " On the crystal structures, residual entropy and dielectric anomaly of methanol," Acta Crystallogr. 5, 606-612 (1952). 10.1107/S0365110X52001696
-
(1952)
Acta Crystallogr.
, vol.5
, pp. 606-612
-
-
Tauer, K.J.1
Lipscomb, W.N.2
-
37
-
-
36449001591
-
Molecular clusters and correlations in liquid methanol at room temperature
-
10.1063/1.465266
-
S. Sarkar and R. N. Joarder, Molecular clusters and correlations in liquid methanol at room temperature," J. Chem. Phys. 99, 2032 (1993). 10.1063/1.465266
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 2032
-
-
Sarkar, S.1
Joarder, R.N.2
-
38
-
-
69849092346
-
Selective oxidation of methanol to hydrogen over gold catalysts promoted by alkaline-earth-metal and lanthanum oxides
-
10.1002/cssc.200900108
-
B. P. C. Hereijgers and B. M. Weckhuysen, " Selective oxidation of methanol to hydrogen over gold catalysts promoted by alkaline-earth-metal and lanthanum oxides," ChemSusChem 2, 743-748 (2009). 10.1002/cssc.200900108
-
(2009)
ChemSusChem
, vol.2
, pp. 743-748
-
-
Hereijgers, B.P.C.1
Weckhuysen, B.M.2
-
39
-
-
77955846175
-
Catalysts for methanol steam reforming - A review
-
10.1016/j.apcatb.2010.06.015
-
S. Sá, H. Silva, L. Brandão, J. M. Sousa, and A. Mendes, " Catalysts for methanol steam reforming-A review," Appl. Catal. B Environ. 99, 43 (2010). 10.1016/j.apcatb.2010.06.015
-
(2010)
Appl. Catal. B Environ.
, vol.99
, pp. 43
-
-
Sá, S.1
Silva, H.2
Brandão, L.3
Sousa, J.M.4
Mendes, A.5
-
40
-
-
59949092678
-
Review of direct methanol fuel cells
-
10.1007/978-0-387-46106-9-5
-
B. L. García and J. W. Weidner, " Review of direct methanol fuel cells," Mod. Aspects Electrochem. 40, 229-284 (2007). 10.1007/978-0-387-46106-9-5
-
(2007)
Mod. Aspects Electrochem.
, vol.40
, pp. 229-284
-
-
García, B.L.1
Weidner, J.W.2
-
41
-
-
78650182274
-
First-principles study on the origin of the different selectivities for methanol steam reforming on Cu(111) and Pd(111)
-
10.1021/jp107678d
-
X.-K. Gu and W.-X. Li, " First-principles study on the origin of the different selectivities for methanol steam reforming on Cu(111) and Pd(111)," J. Phys. Chem. C 114, 21539-21547 (2010). 10.1021/jp107678d
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 21539-21547
-
-
Gu, X.-K.1
Li, W.-X.2
-
42
-
-
0001359744
-
Electrochemically etched nickel tips for spin polarized scanning tunneling microscopy
-
10.1063/1.1311936
-
M. Cavallini and F. Biscarini, " Electrochemically etched nickel tips for spin polarized scanning tunneling microscopy," Rev. Sci. Instrum. 71, 4457 (2000). 10.1063/1.1311936
-
(2000)
Rev. Sci. Instrum.
, vol.71
, pp. 4457
-
-
Cavallini, M.1
Biscarini, F.2
-
43
-
-
42649089188
-
Surface chemistry of methanol on clean and atomic oxygen pre-covered Au(111)
-
10.1021/jp0763735
-
J. Gong, D. W. Flaherty, R. A. Ojifinni, J. M. White, and C. B. Mullins, " Surface chemistry of methanol on clean and atomic oxygen pre-covered Au(111)," J. Phys. Chem. C 112, 5501-5509 (2008). 10.1021/jp0763735
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 5501-5509
-
-
Gong, J.1
Flaherty, D.W.2
Ojifinni, R.A.3
White, J.M.4
Mullins, C.B.5
-
44
-
-
0037457542
-
The structure of methanol and methoxy on Cu(111)
-
10.1016/S0039-6028(03)00385-6
-
S. M. Johnston, A. Mulligan, V. Dhanak, and M. Kadodwala, " The structure of methanol and methoxy on Cu(111)," Surf. Sci. 530, 111-119 (2003). 10.1016/S0039-6028(03)00385-6
-
(2003)
Surf. Sci.
, vol.530
, pp. 111-119
-
-
Johnston, S.M.1
Mulligan, A.2
Dhanak, V.3
Kadodwala, M.4
-
45
-
-
34648840359
-
Experimental and theoretical study of reactivity trends for methanol on Co/Pt(111) and Ni/Pt(111) bimetallic surfaces
-
10.1063/1.2768520
-
O. Skoplyak, C. A. Menning, M. A. Barteau, and J. G. Chen, " Experimental and theoretical study of reactivity trends for methanol on Co/Pt(111) and Ni/Pt(111) bimetallic surfaces," J. Chem. Phys. 127, 114707 (2007). 10.1063/1.2768520
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 114707
-
-
Skoplyak, O.1
Menning, C.A.2
Barteau, M.A.3
Chen, J.G.4
-
46
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, " Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set," Phys. Rev. B 54, 11169-11186 (1996). 10.1103/PhysRevB.54.11169
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
47
-
-
72249104051
-
Chemical accuracy for the van der Waals density functional
-
10.1088/0953-8984/22/2/022201
-
J. Klimeš, D. R. Bowler, and A. Michaelides, " Chemical accuracy for the van der Waals density functional," J. Phys. Condens. Matter 22, 022201 (2010). 10.1088/0953-8984/22/2/022201
-
(2010)
J. Phys. Condens. Matter
, vol.22
, pp. 022201
-
-
Klimeš, J.1
Bowler, D.R.2
Michaelides, A.3
-
48
-
-
3242718844
-
Van der Waals density functional for general geometries
-
10.1103/PhysRevLett.92.246401
-
M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, " Van der Waals density functional for general geometries," Phys. Rev. Lett. 92, 246401 (2004). 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
-
49
-
-
79960645403
-
Van der Waals density functionals applied to solids
-
10.1103/PhysRevB.83.195131
-
J. Klimeš, D. R. Bowler, and A. Michaelides, " Van der Waals density functionals applied to solids," Phys. Rev. B 83, 195131 (2011). 10.1103/PhysRevB.83.195131
-
(2011)
Phys. Rev. B
, vol.83
, pp. 195131
-
-
Klimeš, J.1
Bowler, D.R.2
Michaelides, A.3
-
50
-
-
84896784877
-
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
-
10.1063/1.4866175
-
J. Carrasco, W. Liu, A. Michaelides, and A. Tkatchenko, " Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces," J. Chem. Phys. 140, 084704 (2014). 10.1063/1.4866175
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 084704
-
-
Carrasco, J.1
Liu, W.2
Michaelides, A.3
Tkatchenko, A.4
-
51
-
-
84903362546
-
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures
-
10.1063/1.4824481
-
B. Santra, J. Klimes, A. Tkatchenko, D. Alfè, B. Slater, A. Michaelides, R. Car, and M. Scheffler, " On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures," J. Chem. Phys. 139, 154702 (2013). 10.1063/1.4824481
-
(2013)
J. Chem. Phys.
, vol.139
, pp. 154702
-
-
Santra, B.1
Klimes, J.2
Tkatchenko, A.3
Alfè, D.4
Slater, B.5
Michaelides, A.6
Car, R.7
Scheffler, M.8
-
52
-
-
84871062092
-
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
-
10.1103/PhysRevB.86.245405
-
W. Liu, J. Carrasco, B. Santra, A. Michaelides, M. Scheffler, and A. Tkatchenko, " Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding," Phys. Rev. B 86, 245405 (2012). 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
-
53
-
-
81755171896
-
The energy of hydroxyl coadsorbed with water on Pt(111)
-
10.1021/jp207350r
-
W. Lew, M. C. Crowe, C. T. Campbell, J. Carrasco, and A. Michaelides, " The energy of hydroxyl coadsorbed with water on Pt(111)," J. Phys. Chem. C 115, 23008-23012 (2011). 10.1021/jp207350r
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 23008-23012
-
-
Lew, W.1
Crowe, M.C.2
Campbell, C.T.3
Carrasco, J.4
Michaelides, A.5
-
54
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, " From ultrasoft pseudopotentials to the projector augmented-wave method," Phys. Rev. B 59, 1758-1775 (1999). 10.1103/PhysRevB.59.1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
55
-
-
18344373200
-
Theory and application for the scanning tunneling microscope
-
10.1103/PhysRevLett.50.1998
-
J. Tersoff and D. R. Hamann, " Theory and application for the scanning tunneling microscope," Phys. Rev. Lett. 50, 1998-2001 (1983). 10.1103/PhysRevLett.50.1998
-
(1983)
Phys. Rev. Lett.
, vol.50
, pp. 1998-2001
-
-
Tersoff, J.1
Hamann, D.R.2
-
56
-
-
2142825750
-
2O-ice adsorption and dissociation on metal surfaces from first-principles simulations
-
10.1103/PhysRevB.69.113404
-
2O-ice adsorption and dissociation on metal surfaces from first-principles simulations," Phys. Rev. B 69, 113404 (2004). 10.1103/PhysRevB.69.113404
-
(2004)
Phys. Rev. B
, vol.69
, pp. 113404
-
-
Michaelides, A.1
Alavi, A.2
King, D.3
-
57
-
-
0000005887
-
Scanning tunneling microscopy observations on the reconstructed Au(111) surface: Atomic structure, long-range superstructure, rotational domains, and surface defects
-
10.1103/PhysRevB.42.9307
-
J. Barth, H. Brune, G. Ertl, and R. Behm, " Scanning tunneling microscopy observations on the reconstructed Au(111) surface: Atomic structure, long-range superstructure, rotational domains, and surface defects." Phys. Rev. B 42, 9307-9318 (1990). 10.1103/PhysRevB.42.9307
-
(1990)
Phys. Rev. B
, vol.42
, pp. 9307-9318
-
-
Barth, J.1
Brune, H.2
Ertl, G.3
Behm, R.4
-
58
-
-
0001505005
-
Determination of atom positions at stacking-fault dislocations on Au (111) by scanning tunneling microscopy
-
10.1103/PhysRevB.39.7988
-
C. Wöll, S. Chiang, R. J. Wilson, P. H. Lippel, and C. Woll, " Determination of atom positions at stacking-fault dislocations on Au (111) by scanning tunneling microscopy," Phys. Rev. B 39, 7988-7991 (1989). 10.1103/PhysRevB.39.7988
-
(1989)
Phys. Rev. B
, vol.39
, pp. 7988-7991
-
-
Wöll, C.1
Chiang, S.2
Wilson, R.J.3
Lippel, P.H.4
Woll, C.5
-
59
-
-
44949287434
-
Step effects in the thermal decomposition of methanol on Pt(111)
-
10.1016/0039-6028(90)90175-8
-
K. D. Gibson and L. H. Dubois, " Step effects in the thermal decomposition of methanol on Pt(111)," Surf. Sci. 233, 59-64 (1990). 10.1016/0039-6028(90)90175-8
-
(1990)
Surf. Sci.
, vol.233
, pp. 59-64
-
-
Gibson, K.D.1
Dubois, L.H.2
-
60
-
-
77954556671
-
Pentagons and heptagons in the first water layer on Pt(111)
-
10.1103/PhysRevLett.105.026102
-
S. Nie, P. J. Feibelman, N. C. Bartelt, and K. Thürmer, " Pentagons and heptagons in the first water layer on Pt(111)," Phys. Rev. Lett. 105, 026102 (2010). 10.1103/PhysRevLett.105.026102
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 026102
-
-
Nie, S.1
Feibelman, P.J.2
Bartelt, N.C.3
Thürmer, K.4
-
61
-
-
64849097607
-
Phases of solid methanol
-
10.1021/jp810239r
-
O. Gálvez, B. Maté, B. Martín-Llorente, V. J. Herrero, and R. Escribano, " Phases of solid methanol," J. Phys. Chem. A 113, 3321-3329 (2009). 10.1021/jp810239r
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 3321-3329
-
-
Gálvez, O.1
Maté, B.2
Martín-Llorente, B.3
Herrero, V.J.4
Escribano, R.5
-
62
-
-
0001161218
-
Structure of the A-phase of solid methanol
-
10.1080/00268978900101291
-
B. H. Torrie, S.-X. Weng, and B. M. Powell, " Structure of the A-phase of solid methanol," Mol. Phys. 67, 575-581 (1989). 10.1080/00268978900101291
-
(1989)
Mol. Phys.
, vol.67
, pp. 575-581
-
-
Torrie, B.H.1
Weng, S.-X.2
Powell, B.M.3
-
63
-
-
34547773133
-
Simulating ice nucleation, one molecule at a time, with the 'DFT microscope'
-
A. Michaelides, " Simulating ice nucleation, one molecule at a time, with the 'DFT microscope'," Faraday Discuss. 136, 287-297 (2007); 10.1039/b616689j
-
(2007)
Faraday Discuss.
, vol.136
, pp. 287-297
-
-
Michaelides, A.1
-
64
-
-
84904025106
-
-
10.1039/B709265M
-
A. Michaelides, Faraday Discuss. 136, 309-328 (2007). 10.1039/B709265M
-
(2007)
Faraday Discuss.
, vol.136
, pp. 309-328
-
-
Michaelides, A.1
|