2024 Chemisorption of co on the pt 111 surface

Chemisorption of co on the pt 111 surface

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August undefined, 2024

WebJan 4, 2024 · The adsorption of atomic (H, C, N, O, S) and molecular (OH, CH x, NH x, CO, NO, CN, N 2, HNO, NOH, HCN, x = 1–3) species at 1/4 monolayer coverage on an extended Ag (111) surface was studied here using periodic density functional theory. Geometries and energies were calculated self-consistently using the PW91 functional; … WebGGA study of the adsorption of CO on various Pt~111! sur-face sites.27 In this study, the bottom two layers of Pt were frozen at bulk positions, but the top layer was allowed to relax. Using the same four-site, three-layer approximation they obtained chemisorption energies for CO on fcc, hcp, top and bridge sites at quarter monolayer coverage ...

Electronic Effects in CO Chemisorption on Pt−Pb Intermetallic Surfaces ...

WebIn the interpretation of the vibrational data for CO on Pt(III), consideration should be given to the possibility that the energy loss at 2080 cm/sup -1/ arises from CO chemisorbed at imperfections on a real Pt(III) crystal face and that CO chemisorbedmore »on the Pt(III) plane has a CO stretching frequency at 1850 cm/sup -1/, a region … WebSimulations based on density functional theory are used to study the electronic and electrostatic properties of a Pt (111) surface covered by a layer of chemisorbed atomic oxygen. The impact of... craig revel horwood fabulous gif

Diffuse LEED theory from surfaces partially covered with …

WebThermal desorption studies show that CO is bound more strongly than O 2. The catalytic formation of CO 2 in terms of oxidation on Adsorption Kinetics The catalytic formation of CO 2 in terms of oxidation on Pt-group metals requires a surface only partially covered by CO since O 2 can hardly adsorb on a surface with a high CO coverage with a ... WebNov 1, 2007 · The chemisorption of CO on surfaces of Pt−Pb intermetallic compounds, found to be useful as fuel cell electrocatalysts, was analyzed theoretically. Specifically, … Webprojected onto the 5s and 2pp orbitals of CO: in vacuum and over Al(111) and Pt(111) surfaces. Also shown is the DOS from the d bands in the Pt(111) surface. The sharp states of CO in vacuum are seen to broaden into resonances and shift down in energy over the simple metal surface (mixing with the 4s state causes additional structure in the 5s ... craig revel horwood drag act

Coordination chemistry of metal surfaces: carbon monoxide chemisorption …

Web【题名】： CO+NO versus CO+O2 Reaction on Monolayer FeO(111) Films on Pt(111) 【期刊】：ChemCatChem, Volume 3, Issue 4, Pages 671–674 (April 11, 2011) ... 【题名】： A novel process in CO chemisorption: Stoichiometric species interconversion induced by CO coverage changes on Pd surfaces ... 【期刊】：Surface Science ... WebJan 25, 2012 · The CO chemisorption energy on Pt/Ni(111) was found to be lowered in comparison with Pt(111) and Ni(111), in good agreement with experimental data on Pt-rich Pt–Ni surface alloys. craig revel horwood first wifeWebJun 20, 2000 · Ab initio total energy calculations within a density functional theory framework have been performed for CO and atomic oxygen chemisorbed on the Pt(111) surface. Optimised geometries and chemisorption energies for CO and O on four high-symmetry sites, namely the top, bridge, fcc hollow and hcp hollow sites, are presented, the … diy cleaning front load washer

"WebThe system CO/Pt(111) was studied by means of LEED, thermal desorption and work function measurements. At 170 K a √ 3 × √3/ R30° structure at θ = {1}/{3} is continuously … " - Chemisorption of co on the pt 111 surface

Chemisorption of co on the pt 111 surface

Ab Initio Cluster Model Study of the Chemisorption of CO on …

WebAug 15, 2024 · The adsorption of O 2 on Pt(111) was studied with density functional theory calculations. Various adsorbed states of O 2 were evaluated on clean and OH/H 2 O … WebOct 1, 1997 · The dissociative chemisorption energies are calculated from independent calculations of Pt ( 111 ) or Ni ( 111 ) (2 x 2)-C and (2 x 2)-0 surfaces. 4. CO dissociation on the Ni (lll) surface of the adsorption energies of individual C and O atoms.

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WebJun 6, 1999 · A systematic theoretical study of the adsorption of CO on the Pt {100}, Pt {110}, and Pt {111} surfaces is presented. The calculated equilibrium geometries and vibrational frequencies have been found to be rather independent of the cluster model chosen to represent the surface. Webhollow site chemisorption energies for CO on Pt~111! and the gas-phase energy of the CO 2p* orbital. By using a GGA 1 U type functional, Kresse et al.11 were able to adjust the energetic position of the gas-phase CO 2p* orbital, restoring the correct prediction that top site adsorption is preferred on Pt~111!. However, the

WebIn order to more clearly reveal details concerning this state, the adsorption kinetics and thermodynamics of CO on Pt (111) and two ordered Sn/Pt (111) surface alloys have been studied. The thermodynamics of CO adsorption on Pt (111) is only slightly influenced by the presence of Sn. WebMar 1, 2024 · In this work we present a detailed investigation of the adsorption of CO on a well defined Pt(111) surface with low-temperature Single-Crystal-Adsorption-Calorimetry …

WebDec 16, 2024 · The d-band center position of the metal catalyst is one of the most important factors for catalytic selective hydrogenation, e.g., the conversion of nitrostyrene to … WebNov 12, 2015 · The chemisorption of CO on stepped Pt(111) is known to exhibit a rich hierarchy of sites. The curved surface approach allows one to reveal such hierarchy in …

WebThe surface diffusion of hydrogen on Ru(S)-[15(001) × 2(100)] was studied using laser-induced thermal desorption (LITD) techniques. Hydrogen diffusion on this stepped Ru(001) surface displayed a dramatic anisotropy. At 230 K, the diffusion coefficient parallel to the steps edges ( D ∥ ) was approximately 50 times greater than the diffusion coefficient …

Web2586 D. H. Parker and B. E. Koel: Chemisorption of high coverages atomic oxygen 2586 source of oxygen atoms. The availability of numerous weak ly bound N02 adsorption isomers has been postulated to explain the origin of this efficient accommodation. 12, t3 It is likely that a similar situation exists for 0 3 since the mole cules are similar in geometry … diy cleaning front load washing machineWebFeb 17, 1992 · The elastic diffuser LEED intensity from a single crystal surface Pt (111) partially covered with CO molecules is calculated for different values of the parameters … diy cleaning glass stove topSURFACE SCIENCE 43 (1974) 197-229 North-Holland Publishing Co. THEORY … Adsorption of CO on Ni(111) surfaces was studied by means of LEED, UPS and … The data presented here was taken with a heating rate of ~5 K sec"l. 2.2. Sample … Methods for determining the activation energy, rate constant and order of … The H 2 /Pt(111) system has been studied with LEED, ELS, thermal desorption … In this review an attempt is made to draw correlations between thermal desorption … Surface Science 58 (1976) 379-396 North-Holland Publishing Company … The coverage of Pt by CO is high. As- suming an equal contribution of the two … craig revel horwood fianceeWebThe adsorption of glycine (H3N+ CH2 CO−2) onto evaporated gold substrates, treated to be hydrophilic, has been investigated using infrared reflection adsorption spectroscopy (IRAS) and angle-dependent X-ray photoelectron spectroscopy (XPS). Films only a few monolayers in thickness were formed by adsorption from a 0.1 mg/ml aqueous solution at pH 5.7. … diy clean dryer vent lineWebJan 1, 1979 · The chemisorption of CO on Cu (111) at low temperatures has been studied by reflection-absorption infrared spectroscopy, LEED and surface potential measurements. The initial heat of adsorption of 50 kJ mole −1 is maintained up to frcase 1/3 coverage (corresponding to a sharp √3 × √3–30° LEED pattern) and then drops abruptly to 38 kJ … craig revel horwood height in feetWebOct 7, 2024 · As shown in Fig. 1F and Fig. 2 (A and B), the chemisorbed water sits on the top site of Pt (111), with its molecular plane nearly paralleled to the surface and two hydrogen atoms slightly tilting up, and the orientation takes φ peaked at ~60° and both θ … craig revel horwood house kings cliffeWebchemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential ... Pt(111) surface by performing full-dimensional quantum dy- ... co-workers.20 The new site-averaged ... diy cleaning granite countertops