The transition of chemisorbed hydrogen into subsurface sites on Pd(311)

Farı́as, Daniel; Schilbe, Peter; Patting, Matthias; Rieder, Karl–Heinz

doi:10.1063/1.478113

Cited by 45 publications

(52 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…This finding is also expected because valence band electrons screen dipole-active hydrogen vibrations underneath the surfaces of metals (19).…”

Section: Resultsmentioning

confidence: 57%

“…Temperature programmed desorption, photoelectron spectroscopy, and neutron and He atom scattering data have provided indirect evidence for hydrogen occupying stable subsurface sites (6,(11)(12)(13)(14)19). These studies have indicated that the subsurface site is thermodynamically more stable than the bulk site and is of comparable stability to surface-bound hydrogen.…”

mentioning

confidence: 99%

“…These studies have indicated that the subsurface site is thermodynamically more stable than the bulk site and is of comparable stability to surface-bound hydrogen. High-resolution electron energy loss spectroscopy studies attempting to detect vibrational modes associated with subsurface hydrogen have proven ineffective because any vibration from subsurface hydrogen would be screened by Pd valence band electrons (19). Theoretical studies have predicted that subsurface hydrogen will preferentially occupy the octahedral interstitial sites over the tetrahedral interstitial sites (10,20,21).…”

mentioning

confidence: 99%

See 2 more Smart Citations

Observation and manipulation of subsurface hydride in Pd{111} and its effect on surface chemical, physical, and electronic properties

Sykes

Fernandez-Torres

Nanayakkara

et al. 2005

Proc. Natl. Acad. Sci. U.S.A.

View full text Add to dashboard Cite

We report the observation and manipulation of hydrogen atoms beneath the surface of a Pd{111} crystal by using low-temperature scanning tunneling microscopy. These subsurface hydride sites have been postulated to have critical roles in hydrogen storage, metal embrittlement, fuel cells, and catalytic reactions, but they have been neither observed directly nor selectively populated previously. We demonstrate that the subsurface region of Pd can be populated with hydrogen atoms from the bulk by applying voltage pulses from a scanning tunneling microscope tip. This phenomenon is explained with an inelastic excitation mechanism, whereby hydrogen atoms in the bulk are excited by tunneling electrons and are promoted to more stable sites in the subsurface region. We show that this selectively placed subsurface hydride affects the electronic, geometric, and chemical properties of the surface. Specifically, we observed the effects of hydride formation on surface deformation and charge and on adsorbed hydrogen on the surface. Hydrogen segregation and overlayer vacancy ordering on the Pd{111} have been characterized and explained in terms of the surface changes attributable to selective hydrogen occupation of subsurface hydride sites in Pd{111}.atomic manipulation ͉ catalysis ͉ palladium ͉ hydrogen ͉ scanning tunneling microscopy

show abstract

“…This finding is also expected because valence band electrons screen dipole-active hydrogen vibrations underneath the surfaces of metals (19).…”

Section: Resultsmentioning

confidence: 57%

mentioning

confidence: 99%

mentioning

confidence: 99%

See 1 more Smart Citation

Observation and manipulation of subsurface hydride in Pd{111} and its effect on surface chemical, physical, and electronic properties

Sykes

Fernandez-Torres

Nanayakkara

et al. 2005

Proc. Natl. Acad. Sci. U.S.A.

View full text Add to dashboard Cite

show abstract

“…The H 2 molecule dissociates into H atoms on the Pd surface. The H atoms are bound strongly at the hollow sites of the Pd surface even if at the room temperature [1][2][3][4][5][6]. After the adsorption on the surface, the H atom can penetrate into octahedral interstitial site of the Pd bulk via the subsurface sites.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen Storage Property of the Pd Nanoparticle with Clean Surfaces Studied by QCM

Ogawa

Fujimoto

Kanai³

et al. 2015

e-J. Surf. Sci. Nanotech.

View full text Add to dashboard Cite

The hydrogen absorption behavior of the Pd NPs has been investigated by the noble techniques. The Pd NPs with the clean surface have been fabricated by the gas evaporation method. The P-C isotherm of the hydrogen absorption of the Pd NPs has been obtained using the QCM without the exposure to the air. The P-C isotherms have shown the clear size dependent absorption behavior for the Pd NPs. Further absorption and desorption cycles decrease the solubility of H significantly in the Pd NPs.

show abstract

“…Metallic nanostructures represent promising research interests in the field of nanomaterials, such as catalysis (1,2), sensing (3,4), optics (5), therapeutics (6), and diagnostics (7), hydrogen storage (8), hydrogen purification (9) and photo-catalytic water-splitting (10) etc. Most of these applications depend largely on the unique optical and electronic properties of metals when their sizes are confined to nanoscale dimensions.…”

Section: Introductionmentioning

confidence: 99%

Optical, Electrical, and Catalytic Properties of Metal Nanoclusters Investigated by ab initio Molecular Dynamics Simulation: A Mini Review

QG¹

2015

ACS Symposium Series

View full text Add to dashboard Cite

Metal nanoclusters (e.g. Pt, Pd, and Au) have been those of the most valuable catalysts that have been used in many catalytic fields of hydrogenation, fuel-cell technologies, and water splitting photo-catalytically, etc. In this mini review, the previous works from our group about the optical, electrical and catalytic properties of metal nanoclusters, such as Pt 13 , Pd 13 , and Au 13 , have been reviewed. Ab initio molecular dynamics simulation (AIMD) at a DFT (Density Functional Theory) level has been applied to simulate the catalytic properties. The results show that Pt 13 and Pd 13 nanocluster present interesting hydrogen reduction and molecular H 2 desorption on the surface of the metal nanoclusters. An elementary hydrogen evolution mechanism on the metal nanocluster was established as H ads + +H ads + + 2e -+ M ads → [M ads -H ads -H ads ] → H 2 + M (M~metal). On the other hand, an Au nanocluster, which is protected by organic thiolate groups, was investigated by ab initio electron dynamics (AIED) calculation. The comparison between the protected and unprotected Au nanoclusters clarifies the contributions from Au core and organic thiolate ligands to the optical and electronic properties, such as photoexcitation, electron/hole relaxation, and energy dissipation, etc.

show abstract

The transition of chemisorbed hydrogen into subsurface sites on Pd(311)

Abstract: Articles you may be interested inStudy of the sticking of a hydrogen atom on a graphite surface using a mixed classical-quantum dynamics method

Cited by 45 publications

References 43 publications

Observation and manipulation of subsurface hydride in Pd{111} and its effect on surface chemical, physical, and electronic properties

Observation and manipulation of subsurface hydride in Pd{111} and its effect on surface chemical, physical, and electronic properties

Hydrogen Storage Property of the Pd Nanoparticle with Clean Surfaces Studied by QCM

Optical, Electrical, and Catalytic Properties of Metal Nanoclusters Investigated by ab initio Molecular Dynamics Simulation: A Mini Review

Contact Info

Product

Resources

About