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Volumn 39, Issue 12, 2014, Pages 6598-6603

Hydrogen atom absorption in hydrogen-covered Pd(110) (1 × 2) missing-row surface

Author keywords

Density functional theory; Hydrogen absorption; Hydrogen molecule dissociation; Pd(110) (1 2) missing row surface

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; HYDROGEN;

EID: 84897452066     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2014.02.019     Document Type: Article
Times cited : (15)

References (42)
  • 3
    • 80255123727 scopus 로고    scopus 로고
    • 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
  • 4
    • 78751538175 scopus 로고    scopus 로고
    • 2 dissociative adsorption on Ni and Cr-decorated Ni surfaces - An application to alkaline polymer electrolyte fuel cell
    • 2 dissociative adsorption on Ni and Cr-decorated Ni surfaces - an application to alkaline polymer electrolyte fuel cell e-J Surf Sci Nanotech 8 2010 325 330
    • (2010) E-J Surf Sci Nanotech , vol.8 , pp. 325-330
    • Padama, A.A.B.1    Escaño, M.C.S.2    Kasai, H.3    David, M.Y.4    Kawai, H.5
  • 5
    • 56449114740 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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
  • 20
    • 0001142816 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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
  • 27
    • 0030190741 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고    scopus 로고
    • 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 scopus 로고
    • 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 scopus 로고
    • 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


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