-
1
-
-
0033618581
-
A realizable renewable energy future
-
J.A. Turner A realizable renewable energy future Science 285 5428 1999 687 689
-
(1999)
Science
, vol.285
, Issue.5428
, pp. 687-689
-
-
Turner, J.A.1
-
2
-
-
4043112177
-
Sustainable hydrogen production
-
J.A. Turner Sustainable hydrogen production Science 305 5686 2004 972 974
-
(2004)
Science
, vol.305
, Issue.5686
, pp. 972-974
-
-
Turner, J.A.1
-
3
-
-
84921956015
-
Recent progress in enhancing solar-to-hydrogen efficiency
-
J.Q. Chen, D.H. Yang, D. Song, J.H. Jiang, A.B. Ma, M.Z. Hu, and C.Y. Ni Recent progress in enhancing solar-to-hydrogen efficiency J. Power Sources 280 2015 649 666
-
(2015)
J. Power Sources
, vol.280
, pp. 649-666
-
-
Chen, J.Q.1
Yang, D.H.2
Song, D.3
Jiang, J.H.4
Ma, A.B.5
Hu, M.Z.6
Ni, C.Y.7
-
4
-
-
84880644053
-
Graphene-based materials for hydrogen generation from light-driven water splitting
-
G.C. Xie, K. Zhang, B.D. Guo, Q. Liu, L. Fang, and J.R. Gong Graphene-based materials for hydrogen generation from light-driven water splitting Adv. Mater. 25 28 2013 3820 3839
-
(2013)
Adv. Mater.
, vol.25
, Issue.28
, pp. 3820-3839
-
-
Xie, G.C.1
Zhang, K.2
Guo, B.D.3
Liu, Q.4
Fang, L.5
Gong, J.R.6
-
5
-
-
84921941596
-
Solar fuels vis-a-vis electricity generation from sunlight: the current state-of-the-art (a review)
-
I. Ganesh Solar fuels vis-a-vis electricity generation from sunlight: The current state-of-the-art (a review) Renew. Sust. Energ. Rev. 44 2015 904 932
-
(2015)
Renew. Sust. Energ. Rev.
, vol.44
, pp. 904-932
-
-
Ganesh, I.1
-
6
-
-
0034298308
-
Transport of adsorbates at metal surfaces: from thermal migration to hot precursors
-
J.V. Barth Transport of adsorbates at metal surfaces: From thermal migration to hot precursors Surf. Sci. Rep. 40 3-5 2000 75 149
-
(2000)
Surf. Sci. Rep.
, vol.40
, Issue.3-5
, pp. 75-149
-
-
Barth, J.V.1
-
7
-
-
0000403224
-
Carbon-monoxide hydrogenation on the Ru(001) surface at low-temperature using gas-phase atomic-hydrogen - spectroscopic evidence for the carbonyl insertion mechanism on a transition-metal surface
-
W.J. Mitchell, J. Xie, T.A. Jachimowski, and W.H. Weinberg Carbon-monoxide hydrogenation on the Ru(001) surface at low-temperature using gas-phase atomic-hydrogen - spectroscopic evidence for the carbonyl insertion mechanism on a transition-metal surface J. Am. Chem. Soc. 117 9 1995 2606 2617
-
(1995)
J. Am. Chem. Soc.
, vol.117
, Issue.9
, pp. 2606-2617
-
-
Mitchell, W.J.1
Xie, J.2
Jachimowski, T.A.3
Weinberg, W.H.4
-
8
-
-
84859261032
-
Evidence of stable high-temperature D-x-CO intermediates on the Ru(0001) surface
-
H. Ueta, I.M.N. Groot, L.B.F. Juurlink, A.W. Kleyn, and M.A. Gleeson Evidence of stable high-temperature D-x-CO intermediates on the Ru(0001) surface J. Chem. Phys. 136 11 2012
-
(2012)
J. Chem. Phys.
, vol.136
, Issue.11
-
-
Ueta, H.1
Groot, I.M.N.2
Juurlink, L.B.F.3
Kleyn, A.W.4
Gleeson, M.A.5
-
9
-
-
0037659831
-
Carbon monoxide dissociation on planar and stepped Ru(0001) surfaces
-
I.M. Ciobica, and R.A. van Santen Carbon monoxide dissociation on planar and stepped Ru(0001) surfaces J. Phys. Chem. B 107 16 2003 3808 3812
-
(2003)
J. Phys. Chem. B
, vol.107
, Issue.16
, pp. 3808-3812
-
-
Ciobica, I.M.1
Van Santen, R.A.2
-
10
-
-
52649089117
-
Mechanistic studies of hydrocarbon combustion and synthesis on noble metals
-
O.R. Inderwildi, S.J. Jenkins, and D.A. King Mechanistic studies of hydrocarbon combustion and synthesis on noble metals Angew. Chem. Int. Ed. 47 28 2008 5253 5255
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, Issue.28
, pp. 5253-5255
-
-
Inderwildi, O.R.1
Jenkins, S.J.2
King, D.A.3
-
11
-
-
41749085498
-
The roles of subsurface carbon and hydrogen in palladium-catalyzed alkyne hydrogenation
-
D. Teschner, J. Borsodi, A. Wootsch, Z. Revay, M. Havecker, A. Knop-Gericke, S.D. Jackson, and R. Schlogl The roles of subsurface carbon and hydrogen in palladium-catalyzed alkyne hydrogenation Science 320 5872 2008 86 89
-
(2008)
Science
, vol.320
, Issue.5872
, pp. 86-89
-
-
Teschner, D.1
Borsodi, J.2
Wootsch, A.3
Revay, Z.4
Havecker, M.5
Knop-Gericke, A.6
Jackson, S.D.7
Schlogl, R.8
-
12
-
-
84915747820
-
How absorbed hydrogen affects the catalytic activity of transition metals
-
H.A. Aleksandrov, S.M. Kozlov, S. Schauermann, G.N. Vayssilov, and K.M. Neyman How absorbed hydrogen affects the catalytic activity of transition metals Angew. Chem. Int. Ed. 53 49 2014 13371 13375
-
(2014)
Angew. Chem. Int. Ed.
, vol.53
, Issue.49
, pp. 13371-13375
-
-
Aleksandrov, H.A.1
Kozlov, S.M.2
Schauermann, S.3
Vayssilov, G.N.4
Neyman, K.M.5
-
13
-
-
0242635993
-
Hydrogenation on metal surfaces: Why are nanoparticles more active than single crystals?
-
A.M. Doyle, S.K. Shaikhutdinov, S.D. Jackson, and H.J. Freund Hydrogenation on metal surfaces: Why are nanoparticles more active than single crystals? Angew. Chem. Int. Ed. 42 42 2003 5240 5243
-
(2003)
Angew. Chem. Int. Ed.
, vol.42
, Issue.42
, pp. 5240-5243
-
-
Doyle, A.M.1
Shaikhutdinov, S.K.2
Jackson, S.D.3
Freund, H.J.4
-
14
-
-
84904539887
-
Adsorbed and subsurface absorbed hydrogen atoms on bare and MgO(100)-supported Pd and Pt nanoparticles
-
S.M. Kozlov, H.A. Aleksandrov, and K.M. Neyman Adsorbed and subsurface absorbed hydrogen atoms on bare and MgO(100)-supported Pd and Pt nanoparticles J. Phys. Chem.C 118 28 2014 15242 15250
-
(2014)
J. Phys. Chem.C
, vol.118
, Issue.28
, pp. 15242-15250
-
-
Kozlov, S.M.1
Aleksandrov, H.A.2
Neyman, K.M.3
-
15
-
-
84903365414
-
Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms
-
S.M. Kozlov, H.A. Aleksandrov, J. Goniakowski, and K.M. Neyman Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms J. Chem. Phys. 139 8 2013
-
(2013)
J. Chem. Phys.
, vol.139
, Issue.8
-
-
Kozlov, S.M.1
Aleksandrov, H.A.2
Goniakowski, J.3
Neyman, K.M.4
-
17
-
-
84934984188
-
Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters
-
D. Manzoor, and S. Pal Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters J. Phys. Chemistry. A 119 24 2015 6162 6170
-
(2015)
J. Phys. Chemistry. A
, vol.119
, Issue.24
, pp. 6162-6170
-
-
Manzoor, D.1
Pal, S.2
-
18
-
-
80051808921
-
Self-regenerative silver nanocluster catalyst for CO oxidation
-
K. Shimizu, K. Sawabe, and A. Satsuma Self-regenerative silver nanocluster catalyst for CO oxidation Chemcatchem 3 8 2011 1290 1293
-
(2011)
Chemcatchem
, vol.3
, Issue.8
, pp. 1290-1293
-
-
Shimizu, K.1
Sawabe, K.2
Satsuma, A.3
-
19
-
-
41549130357
-
CO oxidation on unsupported Au(55), Ag(55), and Au(25)Ag(30) nanoclusters
-
C.M. Chang, C. Cheng, and C.M. Wei CO oxidation on unsupported Au(55), Ag(55), and Au(25)Ag(30) nanoclusters J. Chem. Phys. 128 12 2008
-
(2008)
J. Chem. Phys.
, vol.128
, Issue.12
-
-
Chang, C.M.1
Cheng, C.2
Wei, C.M.3
-
20
-
-
67649659954
-
Hydrogen-promoted oxygen activation by free gold cluster cations
-
S.M. Lang, T.M. Bernhardt, R.N. Barnett, B. Yoon, and U. Landman Hydrogen-promoted oxygen activation by free gold cluster cations J. Am. Chem. Soc. 131 25 2009 8939 8951
-
(2009)
J. Am. Chem. Soc.
, vol.131
, Issue.25
, pp. 8939-8951
-
-
Lang, S.M.1
Bernhardt, T.M.2
Barnett, R.N.3
Yoon, B.4
Landman, U.5
-
21
-
-
84949117175
-
Hydrogen atom chemisorbed gold clusters as highly active catalysts for oxygen activation and CO oxidation
-
D. Manzoor, and S. Pal Hydrogen atom chemisorbed gold clusters as highly active catalysts for oxygen activation and CO oxidation J. Phys. Chem. C 118 51 2014 30057 30062
-
(2014)
J. Phys. Chem. C
, vol.118
, Issue.51
, pp. 30057-30062
-
-
Manzoor, D.1
Pal, S.2
-
22
-
-
0001504512
-
H 2 dissociation at metal surfaces
-
J. Harris, and S. Andersson H 2 dissociation at metal surfaces Phys. Rev. Lett. 55 15 1985 1583
-
(1985)
Phys. Rev. Lett.
, vol.55
, Issue.15
, pp. 1583
-
-
Harris, J.1
Andersson, S.2
-
23
-
-
0037470968
-
The infrared spectrum of Al2H6 in solid hydrogen
-
L. Andrews, and X.F. Wang The infrared spectrum of Al2H6 in solid hydrogen Science 299 5615 2003 2049 2052
-
(2003)
Science
, vol.299
, Issue.5615
, pp. 2049-2052
-
-
Andrews, L.1
Wang, X.F.2
-
24
-
-
0041365776
-
Infrared spectra of aluminum hydrides in solid hydrogen: Al2H4 and Al2H6
-
X.F. Wang, L. Andrews, S. Tam, M.E. DeRose, and M.E. Fajardo Infrared spectra of aluminum hydrides in solid hydrogen: Al2H4 and Al2H6 J. Am. Chem. Soc. 125 30 2003 9218 9228
-
(2003)
J. Am. Chem. Soc.
, vol.125
, Issue.30
, pp. 9218-9228
-
-
Wang, X.F.1
Andrews, L.2
Tam, S.3
DeRose, M.E.4
Fajardo, M.E.5
-
25
-
-
62549162193
-
Hydrogen and oxygen adsorption on ZnO nanowires: A first-principles study
-
H. Xu, W. Fan, A.L. Rosa, R.Q. Zhang, and T. Frauenheim Hydrogen and oxygen adsorption on ZnO nanowires: A first-principles study Phys. Rev. B 79 7 2009 4
-
(2009)
Phys. Rev. B
, vol.79
, Issue.7
, pp. 4
-
-
Xu, H.1
Fan, W.2
Rosa, A.L.3
Zhang, R.Q.4
Frauenheim, T.5
-
26
-
-
34547184431
-
Density-functional theory calculations of bare and passivated triangular-shaped ZnO nanowires
-
H. Xu, A.L. Rosa, T. Frauenheim, R.Q. Zhang, and S.T. Lee Density-functional theory calculations of bare and passivated triangular-shaped ZnO nanowires Appl. Phys. Lett. 91 3 2007
-
(2007)
Appl. Phys. Lett.
, vol.91
, Issue.3
-
-
Xu, H.1
Rosa, A.L.2
Frauenheim, T.3
Zhang, R.Q.4
Lee, S.T.5
-
29
-
-
84878142980
-
From heterolytic to homolytic H-2 dissociation on nanostructured MgO(001) films as a function of the metal support
-
H.Y.T. Chen, L. Giordano, and G. Pacchioni From heterolytic to homolytic H-2 dissociation on nanostructured MgO(001) films as a function of the metal support J. Phys. Chem. C 117 20 2013 10623 10629
-
(2013)
J. Phys. Chem. C
, vol.117
, Issue.20
, pp. 10623-10629
-
-
Chen, H.Y.T.1
Giordano, L.2
Pacchioni, G.3
-
30
-
-
0037460162
-
Paramagnetic defect Centers at the MgO surface, An alternative model to oxygen vacancies
-
D. Ricci, C. Di Valentin, G. Pacchioni, P.V. Sushko, A.L. Shluger, and E. Giamello Paramagnetic defect Centers at the MgO surface, An alternative model to oxygen vacancies J. Am. Chem. Soc. 125 3 2003 738 747
-
(2003)
J. Am. Chem. Soc.
, vol.125
, Issue.3
, pp. 738-747
-
-
Ricci, D.1
Di Valentin, C.2
Pacchioni, G.3
Sushko, P.V.4
Shluger, A.L.5
Giamello, E.6
-
31
-
-
0033814517
-
Quantum chemistry of oxide surfaces: from CO chemisorption to the identification of the structure and nature of point defects on MgO
-
G. Pacchioni Quantum chemistry of oxide surfaces: From CO chemisorption to the identification of the structure and nature of point defects on MgO Surf. Rev. Lett. 7 3 2000 277 306
-
(2000)
Surf. Rev. Lett.
, vol.7
, Issue.3
, pp. 277-306
-
-
Pacchioni, G.1
-
32
-
-
0033075654
-
Colour centres at the surface of alkali-earth oxides. A new hypothesis on the location of surface electron traps
-
M.C. Paganini, M. Chiesa, E. Giamello, S. Coluccia, G. Martra, D.M. Murphy, and G. Pacchioni Colour centres at the surface of alkali-earth oxides. A new hypothesis on the location of surface electron traps Surf. Sci. 421 3 1999 246 262
-
(1999)
Surf. Sci.
, vol.421
, Issue.3
, pp. 246-262
-
-
Paganini, M.C.1
Chiesa, M.2
Giamello, E.3
Coluccia, S.4
Martra, G.5
Murphy, D.M.6
Pacchioni, G.7
-
33
-
-
0032165077
-
Structure and stability of oxygen vacancies on sub-surface, terraces, and low-coordinated surface sites of MgO: an ab initio study
-
G. Pacchioni, and P. Pescarmona Structure and stability of oxygen vacancies on sub-surface, terraces, and low-coordinated surface sites of MgO: an ab initio study Surf. Sci. 412-413 1998 657 671
-
(1998)
Surf. Sci.
, vol.412-413
, pp. 657-671
-
-
Pacchioni, G.1
Pescarmona, P.2
-
34
-
-
0035134711
-
Theoretical description of hole localization in a quartz Al center: the importance of exact electron exchange
-
G. Pacchioni, F. Frigoli, D. Ricci, and J.A. Weil Theoretical description of hole localization in a quartz Al center: The importance of exact electron exchange Phys. Rev. B 63 5 2001
-
(2001)
Phys. Rev. B
, vol.63
, Issue.5
-
-
Pacchioni, G.1
Frigoli, F.2
Ricci, D.3
Weil, J.A.4
-
35
-
-
0022131556
-
Surface-properties of alkaline-earth oxides as studied by UV-visible diffuse reflectance spectroscopy
-
F.S. Stone, E. Garrone, and A. Zecchina Surface-properties of alkaline-earth oxides as studied by UV-visible diffuse reflectance spectroscopy Mater. Chem. Phys. 13 3-4 1985 331 346
-
(1985)
Mater. Chem. Phys.
, vol.13
, Issue.3-4
, pp. 331-346
-
-
Stone, F.S.1
Garrone, E.2
Zecchina, A.3
-
36
-
-
0011087550
-
Active-sites for hydrogen adsorption on magnesium-oxide
-
T. Ito, M. Kuramoto, M. Yoshioka, and T. Tokuda Active-sites for hydrogen adsorption on magnesium-oxide J. Phys. Chem. Us 87 22 1983 4411 4416
-
(1983)
J. Phys. Chem. Us
, vol.87
, Issue.22
, pp. 4411-4416
-
-
Ito, T.1
Kuramoto, M.2
Yoshioka, M.3
Tokuda, T.4
-
37
-
-
37049104287
-
Infrared study of hydrogen adsorption on mgo, cao and sro - possible mechanism in promoting O-2(-1 formation
-
S. Coluccia, F. Boccuzzi, G. Ghiotti, and C. Morterra Infrared study of hydrogen adsorption on mgo, cao and sro - possible mechanism in promoting O-2(-1 formation J. Chem. Soc. Faraday. Trans. 1 78 1982 2111 2119
-
(1982)
J. Chem. Soc. Faraday. Trans.
, vol.1
, Issue.78
, pp. 2111-2119
-
-
Coluccia, S.1
Boccuzzi, F.2
Ghiotti, G.3
Morterra, C.4
-
38
-
-
36449007409
-
An electronic-structure study of H-2 and Ch4 interactions with Mgo and Li-doped Mgo clusters
-
J.L. Anchell, K. Morokuma, and A.C. Hess An electronic-structure study of H-2 And Ch4 interactions with Mgo and Li-doped Mgo clusters J. Chem. Phys. 99 8 1993 6004 6013
-
(1993)
J. Chem. Phys.
, vol.99
, Issue.8
, pp. 6004-6013
-
-
Anchell, J.L.1
Morokuma, K.2
Hess, A.C.3
-
39
-
-
0000658088
-
Dissociative adsorption of hydrogen molecule on Mgo surfaces studied by the density-functional method
-
H. Kobayashi, D.R. Salahub, and T. Ito Dissociative adsorption of hydrogen molecule on Mgo surfaces studied by the density-functional method J. Phys. Chem. Us 98 21 1994 5487 5492
-
(1994)
J. Phys. Chem. Us
, vol.98
, Issue.21
, pp. 5487-5492
-
-
Kobayashi, H.1
Salahub, D.R.2
Ito, T.3
-
41
-
-
0042113259
-
Activation of hydrogen at 78 degrees K on paramagnetic centers of magnesium-oxide
-
M. Boudart, A.B. Walters, A. Delbouil, E.G. Derouane, and V. Indovina Activation of hydrogen at 78 degrees K on paramagnetic centers of magnesium-oxide J. Am. Chem. Soc. 94 19 1972 6622
-
(1972)
J. Am. Chem. Soc.
, vol.94
, Issue.19
, pp. 6622
-
-
Boudart, M.1
Walters, A.B.2
Delbouil, A.3
Derouane, E.G.4
Indovina, V.5
-
42
-
-
0347723662
-
Structure and surface and catalytic properties of Mg-Al basic oxides
-
J.I. Di Cosimo, V.K. Diez, M. Xu, E. Iglesia, and C.R. Apesteguia Structure and surface and catalytic properties of Mg-Al basic oxides J. Catal. 178 2 1998 499 510
-
(1998)
J. Catal.
, vol.178
, Issue.2
, pp. 499-510
-
-
Di Cosimo, J.I.1
Diez, V.K.2
Xu, M.3
Iglesia, E.4
Apesteguia, C.R.5
-
43
-
-
0000923572
-
A C-13 Solid-State Nmr-Study of the Chemisorption and Decomposition of Ethanol on Mgo
-
S.H.C. Liang, and I.D. Gay A C-13 Solid-State Nmr-Study Of the Chemisorption And Decomposition Of Ethanol on Mgo J. Catal. 101 2 1986 293 300
-
(1986)
J. Catal.
, vol.101
, Issue.2
, pp. 293-300
-
-
Liang, S.H.C.1
Gay, I.D.2
-
44
-
-
11944249371
-
Catalytic steam reforming of ethanol to produce hydrogen and acetone
-
T. Nishiguchi, T. Matsumoto, H. Kanai, K. Utani, Y. Matsumura, W.J. Shen, and S. Imamura Catalytic steam reforming of ethanol to produce hydrogen and acetone Appl. Catal. A Gen. 279 1-2 2005 273 277
-
(2005)
Appl. Catal. A Gen.
, vol.279
, Issue.1-2
, pp. 273-277
-
-
Nishiguchi, T.1
Matsumoto, T.2
Kanai, H.3
Utani, K.4
Matsumura, Y.5
Shen, W.J.6
Imamura, S.7
-
45
-
-
84875987096
-
Site requirements for the adsorption and reaction of oxygenates on metal oxide surfaces
-
J.M. Vohs Site requirements for the adsorption and reaction of oxygenates on metal oxide surfaces Chem. Rev. 113 6 2013 4136 4163
-
(2013)
Chem. Rev.
, vol.113
, Issue.6
, pp. 4136-4163
-
-
Vohs, J.M.1
-
46
-
-
84906266201
-
Molecular metal catalysts on supports: organometallic chemistry meets surface science
-
P. Serna, and B.C. Gates Molecular metal catalysts on supports: organometallic chemistry meets surface science Accounts Chem. Res. 47 8 2014 2612 2620
-
(2014)
Accounts Chem. Res.
, vol.47
, Issue.8
, pp. 2612-2620
-
-
Serna, P.1
Gates, B.C.2
-
47
-
-
0002752465
-
Reactant-promoted reaction-mechanism for catalytic water gas shift reaction on Mgo
-
T. Shido, K. Asakura, and Y. Iwasawa Reactant-promoted reaction-mechanism for catalytic water gas shift reaction on Mgo J. Catal. 122 1 1990 55 67
-
(1990)
J. Catal.
, vol.122
, Issue.1
, pp. 55-67
-
-
Shido, T.1
Asakura, K.2
Iwasawa, Y.3
-
48
-
-
18744385267
-
Water-gas shift: an examination of Pt promoted MgO and tetragonal and monoclinic ZrO2 by in situ drifts
-
E. Chenu, G. Jacobs, A.C. Crawford, R.A. Keogh, P.M. Patterson, D.E. Sparks, and B.H. Davis Water-gas shift: an examination of Pt promoted MgO and tetragonal and monoclinic ZrO2 by in situ drifts Appl. Catal. B Environ. 59 1-2 2005 45 56
-
(2005)
Appl. Catal. B Environ.
, vol.59
, Issue.1-2
, pp. 45-56
-
-
Chenu, E.1
Jacobs, G.2
Crawford, A.C.3
Keogh, R.A.4
Patterson, P.M.5
Sparks, D.E.6
Davis, B.H.7
-
49
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
G. Kresse, and D. Joubert From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 59 3 1999 1758 1775
-
(1999)
Phys. Rev. B
, vol.59
, Issue.3
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
50
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
G. Kresse, and J. Furthmuller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 16 1996 11169 11186
-
(1996)
Phys. Rev. B
, vol.54
, Issue.16
, pp. 11169-11186
-
-
Kresse, G.1
Furthmuller, J.2
-
51
-
-
4243943295
-
Generalized gradient approximation made simple
-
J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 18 1996 3865 3868
-
(1996)
Phys. Rev. Lett.
, vol.77
, Issue.18
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
52
-
-
25744460922
-
Projector augmented-wave method
-
P.E. Blochl Projector augmented-wave method Phys. Rev. B 50 24 1994 17953 17979
-
(1994)
Phys. Rev. B
, vol.50
, Issue.24
, pp. 17953-17979
-
-
Blochl, P.E.1
-
53
-
-
0012588379
-
High Temperature X-Ray Metallography.1. A New Debye-Scherrer Camera for Use at Very High Temperatures.2. A New Parafocusing Camera.3. Applications to the Study of Chromium, Hafnium, Molybdenum, Rhodium, Ruthenium, and Tungsten
-
R.G. Ross, and W. Humerothery High Temperature X-Ray Metallography.1. A New Debye-Scherrer Camera for Use at Very High Temperatures.2. A New Parafocusing Camera.3. Applications to the Study of Chromium, Hafnium, Molybdenum, Rhodium, Ruthenium, and Tungsten J. Less-Common Met. 5 3 1963 258 270
-
(1963)
J. Less-Common Met.
, vol.5
, Issue.3
, pp. 258-270
-
-
Ross, R.G.1
Humerothery, W.2
-
54
-
-
0034513054
-
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
G. Henkelman, B.P. Uberuaga, and H. Jonsson A climbing image nudged elastic band method for finding saddle points and minimum energy paths J. Chem. Phys. 113 22 2000 9901 9904
-
(2000)
J. Chem. Phys.
, vol.113
, Issue.22
, pp. 9901-9904
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jonsson, H.3
-
55
-
-
33244488494
-
Tuning the surface metal work function by deposition of ultrathin oxide films: Density functional calculations
-
L. Giordano, F. Cinquini, and G. Pacchioni Tuning the surface metal work function by deposition of ultrathin oxide films: Density functional calculations Phys. Rev. B 73 4. 2006
-
(2006)
Phys. Rev. B
, vol.73
, Issue.4
-
-
Giordano, L.1
Cinquini, F.2
Pacchioni, G.3
|