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Showing papers on "Chemisorption published in 1996"


Journal ArticleDOI
07 Feb 1996-Langmuir
TL;DR: In this paper, the use of optical measurements to monitor electrochemical changes on the surface of nanosized metal particles is discussed within the Drude model, and the absorption spectrum of a metal sol in water is shown to be strongly affected by cathodic or anodic polarization, chemisorption, metal adatom deposition, and alloying.
Abstract: The use of optical measurements to monitor electrochemical changes on the surface of nanosized metal particles is discussed within the Drude model. The absorption spectrum of a metal sol in water is shown to be strongly affected by cathodic or anodic polarization, chemisorption, metal adatom deposition, and alloying. Anion adsorption leads to strong damping of the free electron absorption. Cathodic polarization leads to anion desorption. Underpotential deposition (upd) of electropositive metal layers results in dramatic blue-shifts of the surface plasmon band of the substrate. The deposition of just 0.1 monolayer can be readily detected by eye. In some cases alloying occurs spontaneously during upd. Alloy formation can be ascertained from the optical absorption spectrum in the case of gold deposition onto silver sols. The underpotential deposition of silver adatoms onto palladium leads to the formation of a homogeneous silver shell, but the mean free path is less than predicted, due to lattice strain in t...

3,454 citations


Journal ArticleDOI
TL;DR: In this paper, the structural, electronic, chemical and catalytic properties of well-defined bimetallic surfaces are reviewed and a very good correlation is found between the electronic perturbations in a bimetal system and its cohesive energy.

747 citations


Journal ArticleDOI
TL;DR: The reported data, which are supplemented with information on the charging behavior of TiO(2) suspended in indifferent electrolyte solutions, are interpreted in terms of the multi-site surface complexation model.

312 citations


Journal ArticleDOI
TL;DR: A review of theoretical methods used to describe chemisorption and adsorbate reactions on metal surfaces is contained in this paper, where a comprehensive perspective on state-of-the-art electronic structure methods suitable for these problems and a review of applications that illustrate current capabilities of theory are presented.

293 citations


Journal ArticleDOI
TL;DR: Clean, ordered GaN(0001)−(1×1) surfaces are prepared by sputtering with nitrogen ions followed by annealing in ultrahigh vacuum as mentioned in this paper and the surfaces are subsequently exposed at room temperature to O2 and the chemisorption process studied using Auger, valence and core-level photoemission and electron energy loss spectroscopies, low-energy electron diffraction, and work function measurements.
Abstract: Clean, ordered GaN(0001)‐(1×1) surfaces are prepared by sputtering with nitrogen ions followed by annealing in ultrahigh vacuum. The surfaces are subsequently exposed at room temperature to O2 and the chemisorption process studied using Auger, valence and core‐level photoemission and electron energy loss spectroscopies, low‐energy electron diffraction, and work function measurements. Saturation occurs at a coverage of Θox=0.4 ML and is accompanied by the removal of surface states near the band edges. The continued presence of a clear (1×1) diffraction pattern, together with other data, indicates a well‐defined adsorption site, but the relative importance of Ga–O and N–O bonding remains undetermined. The realization that surface states exist near the valence‐band maximum has led to a more accurate determination of the surface Fermi‐level pinning position, and of dependent quantities, than given previously. Clean‐surface data are also compared with those for surfaces prepared by in situ deposition of Ga metal followed by thermal desorption. No significant differences are seen, which suggests that nitrogen‐ion sputtering and annealing is suitable for preparing clean, ordered GaN(0001)‐(1×1) surfaces. The results for O chemisorption on atomically clean surfaces have been applied to evaluating the passivation of surfaces prepared by ex situ wet‐chemical cleaning. The band bending is found to be ∼0.5 eV less than on atomically clean surfaces.

264 citations


Journal ArticleDOI
TL;DR: In this paper, a density functional theory study of the first step of CH4 adsorption on the Ni(111) surface, dissociation into adsorbed CH3 and H, is presented.
Abstract: We present a density functional theory study of the first step of CH4 adsorption on the Ni(111) surface, dissociation into adsorbed CH3 and H. The rupture of the C–H bond occurs preferentially on top of a Ni atom, with a dissociation barrier of about 100 kJ/mol (including zero point corrections). The transition state involves considerable internal excitation of the molecule. The active C–H bond is both stretched to 1.6 A and tilted relative to the methyl group. A normal mode analysis shows that the reaction coordinate is mainly a C–H stretch, while the orientation of the C–H bond relative to the surface is responsible for the highest real mode. Alloying the surface with gold also affects the reactivity of the Ni atoms on adjacent surface sites. The dissociation barrier is increased by 16 and 38 kJ/mol for a Ni atom with one or two gold neighbors, respectively. We attribute these changes to a shift in the local density of d states at the nickel atoms in the neighborhood of gold.

248 citations


Book
01 Jan 1996
TL;DR: In this article, the authors present a simulation of adsorption on amorphous oxide surface, V.A. Tertykh and L.V. Belyakova structure and molecular organization of chemically modified silicas.
Abstract: Part 1 Preparation, structure and properties of new and modified inorganic sorbents: computational studies on the design of synthetic sorbents for selective adsorption of molecules, R. Vetrivel et al controlled porosity glasses (CPGs) as adsorbents, molecular sieves, ion-exchanges and support materials, A.L. Dawidowicz influence of pH of precipitation of hydroxides on the structure of co-precipitated adsorbents, V.S. Komarov colloidal silicas, S. Kondo complex carbon-mineral adsorbents - preparation, surface properties and their modification, R. Leboda and A. Dabrowski solid-phase hydrosilylation reactions with participation of modified silica surface, V.A. Tertykh and L.A. Belyakova structure and molecular organization of bonded layers of chemically modified silicas, A. Yu et al the chemical basis of surface modification technology of silica and alumina by molecular layering method, A.A. Malygin et al kinetics of organic compounds chemisorption from the gas phase on oxides surface, V.I. Bogillo functionalized polysiloxane sorbents - preparation, structure, properties and use, Yu L. Zub and R.V. Parish surface structure and molecular adsorption of apatites, T. Ishikawa surface chemistry and adsorption properties of Al13 colloids, J.Y. Bottero and J.M. Cases. Part 2 Adsorption from gaseous phase: Computer simulation of adsorption on amorphous oxide surface, V. Bakaev and W. Steele on the nature of the energetic heterogeneity of water/oxide interface in adsorption phenomena occurring at oxide surface, W. Rudzinski et al energetic heterogeneity of porous inorganic oxides - adsorption and chromatographic studies, M. Jaroniec adsorption kinetics on real surfaces, G.F. Cerofolini inverse gas chromatography in the examination of acid-base and some other properties of solid materials, A. Voekel chemical and morphological characteristics of inorganic sorbents with respect to gas adsorption, E. Papirer and H. Balard structure and properties of the films formed by organic substances on silica gel surface, investigations by inverse gas chromatography (IGC), J. Rayss the use of gas chromatography to study the adsorption from gaseous phase at the finite dilution, F.J. Lopez Garzon and M. Domingo Garcia molecular statistic and gas chromatographic study of hydrocarbons adsorption on the modified layer silicates and silica in the Henry region, Yu I. Tarasevich et al micropore filling mechanism in inorganic sorbents, K. Kaneko phase transitions in adsorbed layers, A. Patrykiejew drying of gases and liquids by activated alumina, S. Sircar et al. Part 3 Adsorption from solution: characterization of inorganic sorbents by means of adsorption at the liquid-solid interface, A. Dabrowski et al study of adsorption from solutions by chromatography, V. Ya Davydov equilibria of adsorption from solutions on the silica surface, V.A. Tertykh and V.V. Yanishpolskii adsorption from dilute solutions - some novel aspects, P. Nikitas (Part contents)

204 citations


Journal ArticleDOI
TL;DR: In this article, surface adsorptive properties of nanoscale MgO particles have been compared with more conventional samples, and the results, complying with FTIR studies, are rationalized as due to higher intrinsic surface reactivity coupled with higher concentrations of lower coordination ions on the nanoparticle.
Abstract: Surface adsorptive properties of nanoscale MgO particles have been compared with more conventional samples. Morphologically the nanoparticles (autoclave prepared = AP-MgO) are unique and very different from the conventional samples (conventionally prepared = CP-MgO), and AP-MgO possesses more defects, edge and corner sites, higher surface area and more higher index surfaces. The number of residual surface −OH groups/nm2 is similar for both types of samples. Differences in adsorptivity of SO2 and CO2 at relatively low pressure (20 Torr) were determined by gravimetric means. Much larger quantities were adsorbed by AP-MgO. This process of chemisorption was dynamic, and oxygen scrambling occurred when SO2 and Mg18O nanoparticles were in contact. These results, complying with FTIR studies, are rationalized as due to higher intrinsic surface reactivity coupled with higher concentrations of lower coordination ions on the nanoparticle. Pressure studies showed, however, that as 100 Torr of SO2 or CO2 was reached, ...

201 citations


Journal ArticleDOI
TL;DR: In this paper, the physical and chemical properties of the Au(hkl) surface were investigated by rotating disk electrode and rotating disk ring electrode techniques, with a goal to correlate the physicochemical properties of electrode surface with its catalytic activity.

182 citations


Journal ArticleDOI
TL;DR: In this paper, three bimetallic PtSn/C catalysts have been prepared by successive impregnation of pregraphitized carbon black with an aqueous solutions of hexachloroplatinic acid and tin(II) chloride.
Abstract: Three bimetallic PtSn/C catalysts have been prepared by successive impregnation of pregraphitized carbon black with an aqueous solutions of hexachloroplatinic acid and tin(II) chloride. One monometallic Pt/C sample was also prepared and studied for comparison. All catalysts were characterized by hydrogen and carbon monoxide chemisorption at room temperature and X-ray photoelectron spectroscopy and their behaviour in the gas phase hydrogenation of crotonaldehyde, at atmospheric pressure, determined. The amount of surface platinum is greatly reduced by the addition of tin, as deduced from chemisorption measurements and XPS. Both Pt0 and PtII are detected by XPS in the fresh bimetallic catalysts; after reduction in flowing hydrogen at 623 K platinum is completely reduced to the metallic state and, although a high proportion of tin remains in an oxidized state, a relatively important amount is reduced to Sn0, this allowing the possibility of PtSn alloys formation. The catalytic activity in the gas phase hydrogenation of crotonaldehyde is greatly improved by the presence of tin, in spite of the fact that the amount of surface platinum is reduced. Tin has also a very important effect on the selectivity towards the hydrogenation of the CO bond, increasing the production of crotyl alcohol in respect to the hydrogenation of the CC bond that would lead to the production of butyraldehyde. The observed results are explained on the basis of a promoting effect of oxidized tin species for the hydrogenation of the CO group, whereas the formation of a PtSn alloy or the dilution of surface platinum by metallic tin would hinder the hydrogenation of the olefinic CC bond.

179 citations


Journal ArticleDOI
TL;DR: In this paper, it was suggested that the decrease in hydrogen chemisorption capacity, hydrogenolysis selectivity, and number of holes in the d-band are related to the change in the structure of the metal-support interface.

Journal ArticleDOI
TL;DR: In this article, the vapor phase aldol condensation of acetone was studied over MgO promoted with 0.7-1.0 wt.-% of alkali (Li, Na, K and Cs) or alkaline earth (Ca, Sr and Ba) metal ions.
Abstract: The vapor-phase aldol condensation of acetone was studied over MgO promoted with 0.7–1.0 wt.-% of alkali (Li, Na, K and Cs) or alkaline earth (Ca, Sr and Ba) metal ions. The basic properties of the samples were characterized by chemisorption of carbon dioxide. The basicity of MgO increased on addition of the promoter following the basicity order of the promoter oxide: the stronger the electron donor properties of the promoter, the greater the generation of surface basic sites. Major reaction products were mesityl oxide (MO), isomesityl oxide (IMO) and isophorone (IP). The selectivity to (MO + IMO + IP) over unpromoted MgO was practically 100%, thereby showing that magnesium oxide is suitable for selectively obtaining α,β-unsaturated ketones. The reaction was totally inhibited by co-feeding acetic acid along with acetone whereas the co-injection of pyridine did not affect the acetone conversion. This indicated that the self-condensation of acetone over MgO-based catalysts is catalyzed by basic sites. The promoter addition increased the activity of the MgO catalyst and a good correlation was obtained between catalyst activity and the concentration of basic sites. Such a proportionality between activity and surface basicity was an additional evidence that the rate-determining step in the aldol condensation mechanism is controlled by the surface base property. All the catalysts exhibited similar IP/(IMO+MO) selectivity ratio, except the Li/MgO sample which produced substantially larger amounts of isophorone. Because the tricondensation of acetone to give isophorone requires strong basic sites, the higher selectivity toward isophorone was indicative of the presence of stronger surface basic sites in the Li/MgO sample. Results from carbon dioxide chemisorption confirmed that Li/MgO exhibited the strongest basic properties. The generation of high-strength basic sites was explained by assuming that the addition of lithium causes a structural promotion of the MgO sample by replacing the Mg 2+ ions by Li + in the MgO lattice. The replacement would result in strained Mg O bonds and formation of [Li + O − ] species, which causes the generation of stronger basic sites.

Journal ArticleDOI
TL;DR: In this article, three monothiolated cyclodextrinthiol derivatives with different spacers between the cylindrical cavity and the thiol group were synthesized and characterized.
Abstract: Several different cyclodextrinthiol derivatives have been immobilized on gold surfaces through a chemisorption process to form films which exhibit significantly different features. Three monothiolated cyclodextrin derivatives with different spacers between the cyclodextrin cavity and the thiol group and a mixture of multithiolated cyclodextrins were synthesized and characterized. Chemisorption of these compounds onto gold surfaces gave films which were investigated by Fourier transform infrared (FTIR) spectroscopy, time-of-flight mass spectrometry, contact angle measurements, plasmon surface polariton (PSP) spectroscopy, and cyclic voltammetry. It was found that the chemical structure of each cyclodextrin derivative had a strong influence on the molecular architecture in the resulting films, and in particular on the orientation of the cyclodextrin torus. Models were developed to describe the molecular arrangement in the films.

Journal ArticleDOI
TL;DR: In this paper, the structure of the PTCDA on Ag(1 1 1 ) was shown to be nearly identical to that of the β-modification of the pTCDA crystals, whereas on other substrates (e.g., Ge(1 0 0 )) a disordered interface was found.
Abstract: Large and symmetric organic molecules (>200 amu) can form highly-ordered adsorbate layers and thin films when they are deposited by vacuum sublimation on clean reactive surfaces In such cases covalent bonding often occurs via the molecular π-system leading to a parallel orientation of the adsorbate as shown for oligothiophenes and PTCDA on Ag(1 1 1) A proper choice of the substrate and/or a preadsorbate may also cause an upright orientation with bonding via a reactive group of the molecule (example: NDCA/Ni(1 11)) Most of the used molecules yield long-range ordered monolayers with large, almost defect-free domains The stronger the bonding and the smaller the molecule the more likely is the formation of commensurate superstructures which indicate site-specific adsorption even for such large molecules as PTCDA or EC4T Organic epitaxy is discussed and shown for a particular system, PTCDA on Ag(1 1 1), for which the structure of the monolayer is nearly identical to that of theβ-modification of PTCDA crystals, whereas on other substrates (eg Si(1 1 1), Ge(1 0 0)) a disordered interface and hence no true epitaxy is found

Journal ArticleDOI
TL;DR: In this paper, the decomposition and protonation of surface ethoxy groups on TiO2(110) has been studied as a function of surface hydroxyl or water coverage by TPD and XPS.

Journal ArticleDOI
TL;DR: In this paper, reaction mechanisms for each of the processes and for each type of surface considered (oxygenated or both oxygenated and nitrogenated by the plasma treatment) are proposed for direct palladium chemisorption onto nitrogenated groups.
Abstract: Before electroless plating, polymer surfaces must be sensitized and/or activated by using either the conventional two-step or one-step process. The latter stage is a compulsory one to make such surfaces catalytic, e.g., for Ni-P deposition. These processes are performed here using O{sub 2}, NH{sub 3}, or N{sub 2} plasma pretreatments. Reaction mechanisms are proposed for each of the processes and for each type of surface considered (oxygenated or both oxygenated and nitrogenated by the plasma treatment). Direct palladium chemisorption onto nitrogenated groups is highlighted. This allows one to simplify the process making the surface catalytic via elimination of the use of SnCl{sub 2} and to extend the method to any polymer. An additional interest of the plasma treatments, besides their high efficiency in grafting chemical functions, is to perform this grafting at will on selected areas which results in selective metallization.

Journal ArticleDOI
TL;DR: In this paper, a simple molecular description for chemisorption and surface reactions is suggested and shows that both reaction steps have an effect on the growth rate of atomic layer deposition.

Journal ArticleDOI
TL;DR: In this paper, the authors quantitatively rationalized a simple model in which catalytic activity is dominated by Pd6Au and Pd7 surface ensembles, allowance being made for the known degree to which pure Pd{111} decomposes the reactant and product molecules.
Abstract: Acetylene coupling to benzene on the Pd{111} surface is greatly enhanced by the presence of catalytically inert Au atoms. LEED and Auger spectroscopy show that progressive annealing of Au overlayers on Pd{111} leads to the formation of a series of random surface alloys with continuously varying composition. Cyclization activity is a strong function of surface compositionthe most efficient catalyst corresponds to a surface of composition ∼85% Pd. CO TPD and HREELS data show that acetylene cyclization activity is not correlated with the availability of singleton Pd atoms, nor just with the presence of 3-fold pure Pd sitesthe preferred chemisorption site for C2H2 on Pd{111}. The data can be quantitatively rationalized in terms of a simple model in which catalytic activity is dominated by Pd6Au and Pd7 surface ensembles, allowance being made for the known degree to which pure Pd{111} decomposes the reactant and product molecules.

Journal ArticleDOI
TL;DR: In this article, the hydrogenation of CO2 has been studied over Fe/alumina and Fe-K/Alumina catalysts, and it was deduced that the remarkable catalytic properties in the presence of K are attributable to the increase in the ability of CO 2 chemisorption and the enhanced activity for CO formation, which is the preceding step of C2+ hydrocarbon formation.
Abstract: The hydrogenation of CO2 has been studied over Fe/alumina and Fe-K/alumina catalysts. The addition of potassium increases the chemisorption ability of CO2 but decreases that of H2. The catalytic activity test at high pressure (20 atm) reveals that remarkably high activity and selectivity toward light olefins and C2+ hydrocarbons can be achieved with Fe-K/alumina catalysts containing high concentration of K (K/Fe molar ratio = 0.5, 1.0). In the reaction at atmospheric pressure, the highly K-promoted catalysts give much higher CO formation rate than the unpromoted catalyst. It is deduced that the remarkable catalytic properties in the presence of K are attributable to the increase in the ability of CO2 chemisorption and the enhanced activity for CO formation, which is the preceding step of C2+ hydrocarbon formation.

Journal ArticleDOI
TL;DR: In this article, a detailed analysis in terms of individual functional groups present in the molecule yields a detailed geometry of the adsorbed species, and two chemisorbed phases are identified: a thermodynamically stable phase which forms at low exposures, in which both the carboxylate oxygen atoms are equidistant from the surface, and a second phase, created by diffusion-limited adsorption processes.

Journal ArticleDOI
TL;DR: In this paper, the authors investigated the interaction of oxygen on Pd(110) by temperature programmed desorption (TPD), ultraviolet photoemission spectroscopy (UPS) and x-ray photoelectron spectrography (XPS).

Journal ArticleDOI
TL;DR: In this article, infrared spectroscopy is applied to map pathways in the electrocatalytic oxidation of ethanol at platinum electrodes, and strong vibrational bands from adsorbed acetic acid are detected during ethanol oxidation for the first time, and the appearance of these features correlates with a region of reaction inhibition in voltammetry.

Journal ArticleDOI
TL;DR: In this paper, an isotope effect exists with kCH4/kCD4 ratio of 1.05-1.97, depending on reaction temperature and catalyst applied, and the attainment of stable performance over Ni/La2O3 catalyst is found to be related to the strong chemisorption of CO2, weak chemi cation of CH4 and slow rate of CHx formation, and fast rate for CHx removal by oxidation.
Abstract: A study of the kinetic isotope effect (CH4/CO2→ CD4/CO2) for carbon dioxide reforming of methane to synthesis gas shows that an isotope effect exists with kCH 4/kCD 4 ratio of 1.05–1.97, depending on reaction temperature and catalyst applied. The attainment of stable performance over Ni/La2O3 catalyst is found to be related to the strong chemisorption of CO2, weak chemisorption of CH4 and slow rate of CHx formation, and fast rate for CHx removal by oxidation.

Journal ArticleDOI
TL;DR: In this paper, the interaction of CO with the cationic sites of the TiO2(110) surface has been investigated with cluster models and band structure calculations, and it has been shown that CO adsorbs at a distance of 4.4-4.5 bohr and a binding energy of 0.7-0.8 eV at low coverage.

Journal ArticleDOI
TL;DR: In this paper, two series of palladium-based catalysts were compared on the basis of the adsorption of CO and CO2, monitored by Fourier transform infrared spectroscopy.

Journal ArticleDOI
TL;DR: In this paper, fundamental aspects associated with H adsorption at the solid/liquid and solid/gas interfaces and compares H electroadsorption from the electrolyte with dissociative H chemisorption in the gas phase are discussed.
Abstract: This paper focuses on fundamental aspects associated with H adsorption at the solid/liquid and solid/gas interfaces and compares H electroadsorption from the electrolyte with dissociative H chemisorption from the gas phase. At the solid/liquid interface, two distinguishable electroadsorbed H species are observed, the underpotential deposited H and the overpotential deposited H , and their roles in the hydrogen evolution reaction (HER) and H absorption are discussed. At the solid/gas interface, there is only one distinguishable H species, chemisorbed H , which can undergo interfacial transfer into the metal. Three distinct mechanisms of H electroabsorption into the metal electrode are discussed in relation to the adsorption sites of and . The paper discusses thermodynamic methodology used in determination of , and for and compares the value of with . The authors demonstrate a new theoretical formalism which is applied to the determination of the bond energy . New data demonstrate that and are bonded to Rh with the same energy; this points to the same binding mechanism and the same adsorption sites of and . The chemical potentials of , and subsurface H, , are defined, and the chemical‐potential gradient of H associated with its interfacial transfer across the liquid/solid or gas/solid interfaces is formulated in terms of the surface H coverage, θH, and the lattice occupancy fraction .

Journal ArticleDOI
TL;DR: In this paper, a potential energy surface (PES) describing the molecule-surface interaction in the dissociative chemisorption system H2+Cu(100) is presented.
Abstract: A six‐dimensional (6D) potential energy surface (PES) describing the molecule–surface interaction in the dissociative chemisorption system H2+Cu(100) is presented. The PES is based on slab calculations performed using the generalized gradient approximation (GGA) of density functional theory (DFT). To allow the use of the PES in dynamics calculations which can test the validity of the DFT/slab approach by comparing with available experiments on dissociative chemisorption, the PES was fit to an analytical form. The fit used describes the orientational dependence of the molecule–surface interaction above the high symmetry sites upto second order in spherical harmonics. The barriers to dissociation calculated for H2 approaching with its molecular axis parallel to the surface are all located in the exit channel. Also, for different impact sites and orientations, the height and the distance to the surface associated with the barrier correlate well with the chemisorption energy of the H‐atoms in the sites to whi...

Journal ArticleDOI
TL;DR: In this article, the adsorption and desorption of octadecanethiol (CH3(CH2)17S)2+: dimer) self-assembled monolayers (SAMs) on Au(111) have been investigated by thermal desorptions spectroscopy (TDS).
Abstract: The adsorption and desorption of octadecanethiol ( CH3(CH2)17SH: monomer) self-assembled monolayers (SAMs) on Au(111) have been investigated by thermal desorption spectroscopy (TDS). Two desorption peaks of dioctadecyl disulfide ( (CH3(CH2)17S)2+: dimer+) exhibiting different sticking behaviors have been identified in the TDS spectra, while the desorption of octadecanethiol ( CH3(CH2)17SH+: monomer+) occurred at a lower temperature than that of the dimer+. The desorption activation energy and the pre-exponential factor for each peak were estimated assuming first- and second-order reactions. The analysis results suggest that both alkyl thiolate (RS–Au) with strong chemisorption and dialkyl disulfide (RS–SR: dimer) with relatively weak adsorption co-exist in the alkanethiol SAM on Au. The total amount of relatively weakly adsorbed dimers increased appreciably in a slow reaction step, while the monolayer thickness remained almost constant after SAM formation. This result suggests that dimer molecules are formed in the monolayer. This formation of weakly adsorbed dimers is strongly related to the self-exchange phenomena in SAM films reported by Schlenoff et al.. [J. Am. Chem. Soc. 117 (1995) 12528].

Journal ArticleDOI
TL;DR: In this paper, the atomic and electronic structure of the clean and hydrogen-covered one dangling-bond diamond (111) surfaces was analyzed and it was shown that the clean C(111) surface reconstructs in a (2 × 1) geometry with symmetric, unbuckled π bonded Pandey chains.

Journal ArticleDOI
TL;DR: In this article, the authors used IR Fourier transform spectroscopy and temperature-programmed desorption spectrographs to find OH, NH, and CF groups on the diamond surface.