The dissociation behaviour and valence-electronic structure of water adsorbed on clean oxygen-covered Ru{0001}, Rh{111}, Pd{111}, Ir{111} Pt{111} surfaces has been studied by high-resolution X-ray photoelectron spectroscopy with the aim identifying similarities trends within Pt-group metals. On average, we find higher reactivity for 4d metals (Ru, Rh, Pd) as compared to 5d (Ir, Pt), which is correlated characteristic shifts in 1b1 3a1 molecular orbitals water. Small amounts oxygen (<0.2 ML)...

We have studied enantiospecific differences in the adsorption of (S)- and (R)-alanine on Cu{531}R using low-energy electron diffraction (LEED), X-ray photoelectron spectroscopy, near edge absorption fine structure (NEXAFS) spectroscopy. At saturation coverage, alanine adsorbs as alaninate forming a p(1 × 4) superstructure. LEED shows significantly higher degree long-range order for S than R enantiomer. Also carbon K-edge NEXAFS spectra show between variations π resonance when linear...

Abstract The short answer section of the final attainment test for Advanced Physics I course at University Newcastle, Australia was investigated performance bias based on gender. No overall gender discovered, however there a small to medium thermal physics topic. other topics showed any significant difference by A categorization schema exam questions developed and revealed correlation that if contain majority categories from then no will be observed. Bias observed in Thermal topic may due...

The interaction of atomic chlorine with the Cu(110) surface is studied using density functional theory and ab initio atomistic thermodynamics. calculated free energies different Cl/Cu(110) structures as a function chemical potential show that under ultrahigh-vacuum conditions, c(2 × 2)-Cl structure most stable for coverages up to including 1/2 ML, whereas (2 3)-Cl (1 4)-Cl configurations are at 2/3 3/4 ML coverages, respectively. It also shown although there thermodynamically geometries high...

The effect of chlorine (Cl) chemisorption on the energetics and atomic structure Cu(001) surface over a wide range pressures temperatures has been studied using equilibrium ab initio atomistic thermodynamics to elucidate formation cuprous chloride (CuCl) as part Deacon reaction copper metal. calculated free energies show that 1/2 monolayer (ML) c(2 × 2)-Cl phase with atoms adsorbed at hollow sites is most stable for Cl chemical potential, in agreement experimental observations. It also found...

The coadsorption of water and preadsorbed oxygen on Ru{0001) was studied by synchrotron-based high-resolution x-ray photoelectron spectroscopy. A dramatic change observed in the interaction with between low high precoverages. Low coverages below 0.18 ML induce partial dissociation, which leads to an adsorbed layer ${\text{H}}_{2}\text{O}$ OH. Around half atoms take part this reaction. All OH recombines upon heating 200 K desorbs together ${\text{H}}_{2}\text{O}$. Oxygen 0.20 0.50 inhibit...

$100\phantom{\rule{0.3em}{0ex}}\mathrm{keV}$ ${\mathrm{H}}^{+}$ medium-energy ion scattering has been applied to investigate the surface relaxations of clean rutile ${\mathrm{TiO}}_{2}(110)\text{\ensuremath{-}}(1\ifmmode\times\else\texttimes\fi{}1)$ structure. A set blocking curves in four different incident directions show clear differences between and bulk attributable relaxation. Optimized values relaxation parameters give best fit structure are generally quite good agreement with a...

Low energy ion recoil spectroscopy is a powerful technique for the determination of adsorbate position on metal surfaces. In this study, employed to compare adsorption sites hydrogen and deuterium Pd(100) by detection either H or D ions produced Ne+ bombardment. Comparisons experimental Kalypso simulated azimuthal yield distributions show that, at room temperature, both isotopes are adsorbed in fourfold hollow site Pd(100), however, different heights above surface (H—0.20 Å D—0.25 Å). The...

Density functional theory calculations have been performed to study the combined interaction of oxygen and chlorine with Cu(100) surface. We found presence atomic increases stability molecular adsorption, that barrier required dissociate molecule in is three times larger than dissociation on clean In addition, monoxide was generated surface when adsorbed horizontally into a hollow site immediately adjacent chlorine. Our indicate while easily dissociatively surface, it stable form oxygen. The...

Saturated chemisorbed layers of d- and l-alanine amino acids were adsorbed onto a chiral Cu{421}R surface. Very little enantioselectivity was observed in the HR-XPS thermal desorption; however, there large difference dissociation products left on surface between two enantiomers. NEXAFS spectroscopy also exhibited only minor differences molecular adsorption enantiomer layers; low-energy electron diffraction (LEED) images revealed significant structure layers. d-alanine forms p(2 × 3)...

We have used synchrotron-based high-resolution X-ray photoelectron spectroscopy in combination with ab initio density functional theory calculations to investigate the characteristics of water and CO adsorption on bimetallic Cu/Pt{110}-(2 × 1) surface at a Cu coverage near 0.5 ML. fills troughs reconstructed clean forming nanowires, which are stable up 830 K. Their presence dramatically influences CO. Water changes from intact partially dissociated while desorption temperature this increases...

We present a combined quantitative low-energy electron diffraction (LEED) and density-functional theory (DFT) study of the chiral Cu{531} surface. The surface shows large inward relaxations with respect to bulk interlayer distance first two layers expansion between fourth fifth layers. (The latter is layer having same coordination as Cu atoms in bulk.) Additional calculations have been performed likelihood faceting by comparing energies possible facet terminations. No overall significant...

The multiple-choice section of the final examination for first-year Advanced Physics I course at University Newcastle, Australia between 2010 and 2018 was investigated gender bias. A Mantel-Haenszel analysis revealed that approximately 20% questions exhibited statistically significant schema characterizing proposed used to analyze entire question set. Male bias showed moderate large tended include characteristics related visualization, though not images. Several a in favor females were...

The adsorption of water and coadsorption with oxygen on the missing-row reconstructed Pt{110}-(1×2) surface was studied by using temperature-programmed desorption (TPD) X-ray photoelectron spectroscopy. Coadsorbed below saturation (<0.65 ± 0.05 ML) leads to formation OH, which occupies sites near ridge Pt atoms. In contrast more closely packed Pt{111} surface, OH appears not form hydrogen bonds coadsorbed molecules is stable after up about 205 K (as determined TPD). Because atomic compete...

Density functional theory together with ab initio atomistic thermodynamics has been utilized to study the structures and stabilities of low index CuCl surfaces. It is shown that Cl-terminated are more stable than Cu-terminated configurations, defective CuCl(110)-Cu structure stoichiometric CuCl(110) surface. The equilibrium shape a cuprous chloride nanostructure terminated by low-index surfaces also predicted using Wulff construction. was found (110) facets dominate at chlorine...

A detailed understanding of the bonding and molecular geometry characteristics amino acids on chiral surfaces is vital toward discovering new pathways in chemistry. Saturated layers d- l-cysteine were chemisorbed onto a Cu{421}R surface. Although very little difference was observed orientation two enantiomers as with near-edge X-ray absorption fine structure, large variation sulfur bond scission energy measured using high-resolution photoelectron spectroscopy thermal annealing sequence. As...