Interaction of hydrogen with a palladium (110) surface

Cattania, M.G.; Penka, V.; Behm, R. Jürgen; Christmann, K.; Ertl, G.

doi:10.1016/0039-6028(83)90732-x

Cited by 188 publications

(45 citation statements)

References 13 publications

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“…In particular on Pd(110), hydrogen adsorption at higher coverages can induce several different reconstructions as a function of the coverage. [6,7,13,14] Experimentally, however, it is very hard to determine the positions of hydrogen atoms on the reconstructed surfaces because they hardly scatter electrons so that they are almost invisible for experimental methods using electron diffraction techniques. Here, hydrogen-induced polymorphism has been studied in detail by DFT calculations [15,31] elucidating the geometric and electronic structure of the hydrogeninduced reconstructions.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Molecular Dynamics Simulations of the Adsorption of H₂ on Palladium Surfaces

Groß

2010

ChemPhysChem

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The interaction of hydrogen with palladium surfaces represents a model system for the study of the adsorption and absorption at metal surfaces. Theoretical gas-surface dynamics studies have usually concentrated on the adsorption dynamics on clean surfaces. Only recently has it become possible, based on advances in electronic structure codes and improvements in computer power, to address the much more complex problem of the adsorption dynamics on precovered surfaces. Herein, recent ab initio molecular dynamics studies are discussed that address the adsorption dynamics of hydrogen molecules on hydrogen- and sulfur-precovered Pd surfaces. In addition, the relaxation dynamics of the hydrogen atoms after the dissociation on clean Pd(100) are presented.

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Section: Introductionmentioning

confidence: 99%

Ab Initio Molecular Dynamics Simulations of the Adsorption of H₂ on Palladium Surfaces

Groß

2010

ChemPhysChem

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“…[48][49][50] However, metallic Pd with small electrical resistivity and large reflectivity R ͓see Eqs. ͑1͒ and ͑3͔͒ is expected to block IR emission from below.…”

Section: A Effect Of Pd Capping Layer On Ir Imagingmentioning

confidence: 99%

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

Oguchi

Hattrick‐Simpers

Takeuchi

et al. 2009

Review of Scientific Instruments

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Positron depth profiling of the structural and electronic structure transformations of hydrogenated Mg-based thin films J. Appl. Phys. 105, 043514 (2009) We have developed an infrared imaging setup enabling in situ infrared images to be acquired, and expanded on capabilities of an infrared imaging as a high-throughput screening technique, determination of a critical thickness of a Pd capping layer which significantly blocks infrared emission from below, enhancement of sensitivity to hydrogenation and dehydrogenation by normalizing raw infrared intensity of a Mg thin film to an inert reference, rapid and systematic screening of hydrogenation and dehydrogenation properties of a Mg-Ni composition spread covered by a thickness gradient Pd capping layer, and detection of formation of a Mg 2 Si phase in a Mg thin film on a thermally oxidized Si substrate during annealing.

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“…Babenkova et al [6] reported a broad peak desorbing from Pd-black at room temperature without heating (dissolved hydrogen) followed by a two-peak system with maxima at 550 and 690 K; the vast majority of hydrogen left their Pd-black catalyst, with maximum desorption rate at 407 K; two minor peaks at 643 and 780 K finished the TPD spectrum. The sharp peak followed directly by a broader one has also been reported from Pd(ll0) single crystal; at a hydrogen loading temperature at 120 K, the first sharp peak appeared at 160 K, followed at somewhat higher coverages by a second one at 230 K; the broad maximum being around 300 K [8]. Loading Pd(100) with hydrogen at 170 K [9], resulted in a double beta-peak with maxima at 370 and 260 K, respectively (the latter appearing with higher coverages only); no alpha-peak appeared.…”

Section: Introductionmentioning

confidence: 78%

“…Apart from the very different temperatures for peak maxima (260 to 550 K), it seems likely that the main hydrogen desorption peak is what was called beta [8,9] or B [7] and which consists, likely, of more subpeaks.…”

Section: Introductionmentioning

confidence: 99%

Selectivity of hydrogen chemisorption on clean and lead modified palladium particles; a TPD and photoemission study

et al. 1990

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Palladium, hydrogen chemisorption, decomposition of PdO, Head as surface modifier, XPS, UPS, TPD This work describes hydrogen chernisorption on clean and lead modified palladium particles obtained from decomposition of PdO. TPD is used as a chemical probe to test the surface properties of several states of metallic palladium relevant in practical selective hydrogenation catalysts. These states differ in oxygen content and the presence of a lead modifier. XPS and UPS data serve as a basis for identifying the surface properties. TPD spectra show a very broad low temperature peak-likely bulk hydride dec6mposition-and a sharp TPD peak between 330 and 380 K. This latter can be devided into three rather poorly separated subpeaks; addition of Pb does not shift peak maxima but decreases the central subpeak and eliminates the high temperature peak completely. This points to the interaction of Pb with specific surface sites rather than to bulk alloy formation.The enhancement of selectivity in hydrogenation obtained from lead modification is considered as a geometric site blocking effect rather than to arise from a bulk modification of the valence electronic structure of palladium metal.

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Interaction of hydrogen with a palladium (110) surface

Cited by 188 publications

References 13 publications

Ab Initio Molecular Dynamics Simulations of the Adsorption of H₂ on Palladium Surfaces

Ab Initio Molecular Dynamics Simulations of the Adsorption of H₂ on Palladium Surfaces

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

Selectivity of hydrogen chemisorption on clean and lead modified palladium particles; a TPD and photoemission study

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Interaction of hydrogen with a palladium (110) surface

Cited by 188 publications

References 13 publications

Ab Initio Molecular Dynamics Simulations of the Adsorption of H2 on Palladium Surfaces

Ab Initio Molecular Dynamics Simulations of the Adsorption of H2 on Palladium Surfaces

An infrared imaging method for high-throughput combinatorial investigation of hydrogenation-dehydrogenation and new phase formation of thin films

Selectivity of hydrogen chemisorption on clean and lead modified palladium particles; a TPD and photoemission study

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Ab Initio Molecular Dynamics Simulations of the Adsorption of H₂ on Palladium Surfaces

Ab Initio Molecular Dynamics Simulations of the Adsorption of H₂ on Palladium Surfaces