-
1
-
-
84866073776
-
Hydrogen absorption in Pd nanoparticles of different shapes
-
E.A. Crespo, M. Ruda, S.R. de Debiaggi, E.M. Bringa, F.U. Braschi, and G. Bertolino Hydrogen absorption in Pd nanoparticles of different shapes Int J Hydrogen Energy 37 2012 14831 14837
-
(2012)
Int J Hydrogen Energy
, vol.37
, pp. 14831-14837
-
-
Crespo, E.A.1
Ruda, M.2
De Debiaggi, S.R.3
Bringa, E.M.4
Braschi, F.U.5
Bertolino, G.6
-
3
-
-
80255123727
-
2 dissociation and adsorption on Mn-modified Ni(111) surface: A density functional theory-based investigation
-
2 dissociation and adsorption on Mn-modified Ni(111) surface: a density functional theory-based investigation Surf Sci 606 2012 62 68
-
(2012)
Surf Sci
, vol.606
, pp. 62-68
-
-
Padama, A.A.B.1
Kasai, H.2
Kawai, H.3
-
5
-
-
56449114740
-
Influence of carbon deposition on the hydrogen distribution in Pd nanoparticles and their reactivity in olefin hydrogenation
-
M. Wilde, K. Fukutani, W. Ludwig, B. Brandt, J. Fischer, and S. Schauermann et al. Influence of carbon deposition on the hydrogen distribution in Pd nanoparticles and their reactivity in olefin hydrogenation Angew Chem Int Ed 47 2008 9289 9293
-
(2008)
Angew Chem Int Ed
, vol.47
, pp. 9289-9293
-
-
Wilde, M.1
Fukutani, K.2
Ludwig, W.3
Brandt, B.4
Fischer, J.5
Schauermann, S.6
-
6
-
-
84877705503
-
Near-surface accumulation of hydrogen and CO blocking effects on a Pd-Au alloy
-
S. Ogura, M. Okada, and K. Fukutani Near-surface accumulation of hydrogen and CO blocking effects on a Pd-Au alloy J Phys Chem C 117 2013 9366 9371
-
(2013)
J Phys Chem C
, vol.117
, pp. 9366-9371
-
-
Ogura, S.1
Okada, M.2
Fukutani, K.3
-
7
-
-
0035919005
-
Depth-resolved analysis of subsurface hydrogen absorbed by Pd(100)
-
M. Wilde, M. Matsumoto, K. Fukutani, and T. Aruga Depth-resolved analysis of subsurface hydrogen absorbed by Pd(100) Surf Sci 482-485 2001 346 352
-
(2001)
Surf Sci
, vol.482-485
, pp. 346-352
-
-
Wilde, M.1
Matsumoto, M.2
Fukutani, K.3
Aruga, T.4
-
9
-
-
0038219692
-
The electronic structure and bonding of a H-H pair in the vicinity of a BCC Fe bulk vacancy
-
A. Juan, C. Pistonesi, A.J. García, and G. Brizuela The electronic structure and bonding of a H-H pair in the vicinity of a BCC Fe bulk vacancy Int J Hydrogen Energy 28 2003 995 1004
-
(2003)
Int J Hydrogen Energy
, vol.28
, pp. 995-1004
-
-
Juan, A.1
Pistonesi, C.2
García, A.J.3
Brizuela, G.4
-
10
-
-
79957979627
-
The role of palladium in a hydrogen economy
-
B.D. Adams, and A. Chen The role of palladium in a hydrogen economy Mater Today 14 2011 282 289
-
(2011)
Mater Today
, vol.14
, pp. 282-289
-
-
Adams, B.D.1
Chen, A.2
-
11
-
-
84870174923
-
Ab initio investigation of hydrogen atom adsorption and absorption on Pd(110) surface
-
A.A.B. Padama, H. Kasai, Y.W. Budhi, and N.B. Arboleda Jr. Ab initio investigation of hydrogen atom adsorption and absorption on Pd(110) surface J Phys Soc Jpn 81 2012 114705
-
(2012)
J Phys Soc Jpn
, vol.81
, pp. 114705
-
-
Padama, A.A.B.1
Kasai, H.2
Budhi, Y.W.3
Arboleda, Jr.N.B.4
-
12
-
-
84886724618
-
Hydrogen absorption and hydrogen-induced reverse segregation in palladium-silver surface
-
A.A.B. Padama, H. Kasai, and Y.W. Budhi Hydrogen absorption and hydrogen-induced reverse segregation in palladium-silver surface Int J Hydrogen Energy 38 2013 14715 14724
-
(2013)
Int J Hydrogen Energy
, vol.38
, pp. 14715-14724
-
-
Padama, A.A.B.1
Kasai, H.2
Budhi, Y.W.3
-
13
-
-
84867556250
-
Lowering energy barriers in surface reactions through concerted reaction mechanisms
-
S. Sakong, C. Mosh, A. Lozano, H.F. Busnengo, and A. Groß Lowering energy barriers in surface reactions through concerted reaction mechanisms ChemPhysChem 13 2012 3467 3471
-
(2012)
ChemPhysChem
, vol.13
, pp. 3467-3471
-
-
Sakong, S.1
Mosh, C.2
Lozano, A.3
Busnengo, H.F.4
Groß, A.5
-
14
-
-
34547303598
-
Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface: A first principles calculation
-
N. Ozawa, T.A. Roman, H. Nakanishi, H. Kasai, N.B. Arboleda Jr., and W.A. Diño Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface: a first principles calculation J Appl Phys 101 2007 123530
-
(2007)
J Appl Phys
, vol.101
, pp. 123530
-
-
Ozawa, N.1
Roman, T.A.2
Nakanishi, H.3
Kasai, H.4
Arboleda, Jr.N.B.5
Diño, W.A.6
-
15
-
-
84857189664
-
Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: A DFT study
-
P. Ferrin, S. Kandoi, A.U. Nilekar, and M. Mavrikakis Hydrogen adsorption, absorption and diffusion on and in transition metal surfaces: a DFT study Surf Sci 606 2012 679 689
-
(2012)
Surf Sci
, vol.606
, pp. 679-689
-
-
Ferrin, P.1
Kandoi, S.2
Nilekar, A.U.3
Mavrikakis, M.4
-
16
-
-
0037113002
-
Coverage dependence of hydrogen absorption into Pd(111)
-
K. Nobuhara, H. Kasai, H. Nakanishi, and A. Okiji Coverage dependence of hydrogen absorption into Pd(111) J Appl Phys 92 2002 5704 5706
-
(2002)
J Appl Phys
, vol.92
, pp. 5704-5706
-
-
Nobuhara, K.1
Kasai, H.2
Nakanishi, H.3
Okiji, A.4
-
17
-
-
35949022049
-
Selective transition of chemisorbed hydrogen to subsurface sites on Pd(110)
-
K.H. Rieder, M. Baumberger, and W. Stocker Selective transition of chemisorbed hydrogen to subsurface sites on Pd(110) Phys Rev Lett 51 1983 1799 1802
-
(1983)
Phys Rev Lett
, vol.51
, pp. 1799-1802
-
-
Rieder, K.H.1
Baumberger, M.2
Stocker, W.3
-
18
-
-
36749104758
-
Evidence for ''subsurface'' hydrogen on Pd(110): An intermediate between chemisorbed and dissolved species
-
R.J. Behm, V. Penka, M.G. Cattania, K. Christmann, and G. Ertl Evidence for ''subsurface'' hydrogen on Pd(110): an intermediate between chemisorbed and dissolved species J Chem Phys 78 1983 7486 7490
-
(1983)
J Chem Phys
, vol.78
, pp. 7486-7490
-
-
Behm, R.J.1
Penka, V.2
Cattania, M.G.3
Christmann, K.4
Ertl, G.5
-
19
-
-
0001125323
-
Interaction of hydrogen with a palladium (110) surface
-
M.G. Cattania, V. Penka, R.J. Behm, K. Christmann, and G. Ertl Interaction of hydrogen with a palladium (110) surface Surf Sci 126 1983 382 391
-
(1983)
Surf Sci
, vol.126
, pp. 382-391
-
-
Cattania, M.G.1
Penka, V.2
Behm, R.J.3
Christmann, K.4
Ertl, G.5
-
20
-
-
0001142816
-
Elucidation of hydrogen-induced (1 × 2) reconstructed structures on Pd(110) from 100 to 300 K by scanning tunneling microscopy
-
J. Yoshinobu, H. Tanaka, and M. Kawai Elucidation of hydrogen-induced (1 × 2) reconstructed structures on Pd(110) from 100 to 300 K by scanning tunneling microscopy Phys Rev B 51 1995 4529 4532
-
(1995)
Phys Rev B
, vol.51
, pp. 4529-4532
-
-
Yoshinobu, J.1
Tanaka, H.2
Kawai, M.3
-
21
-
-
33748949564
-
The initial stages of the hydrogen-induced reconstruction of Pd(110) studied with STM
-
M. Kralj, C. Becker, and K. Wandelt The initial stages of the hydrogen-induced reconstruction of Pd(110) studied with STM Surf Sci 600 2006 4113 4118
-
(2006)
Surf Sci
, vol.600
, pp. 4113-4118
-
-
Kralj, M.1
Becker, C.2
Wandelt, K.3
-
22
-
-
0030188668
-
Hydrogen-induced missing-row reconstructions of Pd(110) studied by scanning tunneling microscopy
-
E. Kampshoff, N. Waelchli, A. Menck, and K. Kern Hydrogen-induced missing-row reconstructions of Pd(110) studied by scanning tunneling microscopy Surf Sci 360 1996 55 60
-
(1996)
Surf Sci
, vol.360
, pp. 55-60
-
-
Kampshoff, E.1
Waelchli, N.2
Menck, A.3
Kern, K.4
-
23
-
-
0000259098
-
Mechanistic and energetic aspects of the H-induced (1 × 2) reconstructed structures on Ni(110) and Pd(110)
-
G. Kleinle, M. Skottke, V. Penka, G. Ertl, R.J. Behm, and W. Moritz Mechanistic and energetic aspects of the H-induced (1 × 2) reconstructed structures on Ni(110) and Pd(110) Surf Sci 189-190 1987 177 184
-
(1987)
Surf Sci
, vol.189-190
, pp. 177-184
-
-
Kleinle, G.1
Skottke, M.2
Penka, V.3
Ertl, G.4
Behm, R.J.5
Moritz, W.6
-
24
-
-
0031117442
-
A theoretical study of the H-induced reconstructions of the Pd(110) surface
-
W. Dong, V. Ledentu, P. Saute, G. Kresse, and J. Hafner A theoretical study of the H-induced reconstructions of the Pd(110) surface Surf Sci 377-379 1997 56 61
-
(1997)
Surf Sci
, vol.377-379
, pp. 56-61
-
-
Dong, W.1
Ledentu, V.2
Saute, P.3
Kresse, G.4
Hafner, J.5
-
25
-
-
0347766300
-
Hydrogen-induced polymorphism of the Pd(110) surface
-
D. Tománek, S. Wilke, and M. Scheffler Hydrogen-induced polymorphism of the Pd(110) surface Phys Rev Lett 79 1997 1329 1332
-
(1997)
Phys Rev Lett
, vol.79
, pp. 1329-1332
-
-
Tománek, D.1
Wilke, S.2
Scheffler, M.3
-
26
-
-
0001359436
-
H-induced reconstructions on Pd(110)
-
V. Ledentu, W. Dong, P. Sautet, G. Kresse, and J. Hafner H-induced reconstructions on Pd(110) Phys Rev B 57 1998 12482 12491
-
(1998)
Phys Rev B
, vol.57
, pp. 12482-12491
-
-
Ledentu, V.1
Dong, W.2
Sautet, P.3
Kresse, G.4
Hafner, J.5
-
27
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
G. Kresse, and J. Furthmüller Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput Mater Sci 6 1996 15 50
-
(1996)
Comput Mater Sci
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
28
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys Rev B 54 1996 11169 11186
-
(1996)
Phys Rev B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
29
-
-
4243943295
-
Generalized gradient approximation made simple
-
J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys Rev Lett 77 1996 3865 3868
-
(1996)
Phys Rev Lett
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
30
-
-
25744460922
-
Projector augmented-wave method
-
P.E. Blöchl Projector augmented-wave method Phys Rev B 50 1994 17953 17979
-
(1994)
Phys Rev B
, vol.50
, pp. 17953-17979
-
-
Blöchl, P.E.1
-
32
-
-
1842816907
-
Special points for Brillouin-zone integrations
-
H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone integrations Phys Rev B 13 1976 5188 5192
-
(1976)
Phys Rev B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
33
-
-
0000720337
-
High-precision sampling for Brillouin-zone integration in metals
-
M. Methfessel, and A.T. Paxton High-precision sampling for Brillouin-zone integration in metals Phys Rev B 40 1989 3616 3621
-
(1989)
Phys Rev B
, vol.40
, pp. 3616-3621
-
-
Methfessel, M.1
Paxton, A.T.2
-
34
-
-
25044437775
-
Improved tetrahedron method for Brillouin-zone integrations
-
P.E. Blöchl, O. Jepsen, and O.K. Andersen Improved tetrahedron method for Brillouin-zone integrations Phys Rev B 49 1994 16223 16233
-
(1994)
Phys Rev B
, vol.49
, pp. 16223-16233
-
-
Blöchl, P.E.1
Jepsen, O.2
Andersen, O.K.3
-
35
-
-
0034513054
-
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
G. Henkelman, B.P. Uberuaga, and H. Jónsson A climbing image nudged elastic band method for finding saddle points and minimum energy paths J Chem Phys 113 2000 9901 9904
-
(2000)
J Chem Phys
, vol.113
, pp. 9901-9904
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jónsson, H.3
-
36
-
-
0016026119
-
Adsorption of hydrogen on palladium single crystal surfaces
-
H. Conrad, G. Ertl, and E.E. Latta Adsorption of hydrogen on palladium single crystal surfaces Surf Sci 41 1974 435 446
-
(1974)
Surf Sci
, vol.41
, pp. 435-446
-
-
Conrad, H.1
Ertl, G.2
Latta, E.E.3
-
40
-
-
80855156831
-
2 on Pd(100) studied by ab initio molecular dynamics simulations
-
2 on Pd(100) studied by ab initio molecular dynamics simulations J Chem Phys 135 2011 174707
-
(2011)
J Chem Phys
, vol.135
, pp. 174707
-
-
Groß, A.1
-
41
-
-
4143079428
-
Why gold is the noblest of all the metals
-
B. Hammer, and J.K. Nørskov Why gold is the noblest of all the metals Nature 376 1995 238 240
-
(1995)
Nature
, vol.376
, pp. 238-240
-
-
Hammer, B.1
Nørskov, J.K.2
-
42
-
-
0029512476
-
Electronic factors determining the reactivity of metal surfaces
-
B. Hammer, and J.K. Nørskov Electronic factors determining the reactivity of metal surfaces Surf Sci 343 1995 211 220
-
(1995)
Surf Sci
, vol.343
, pp. 211-220
-
-
Hammer, B.1
Nørskov, J.K.2
|