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At least 163 records · Page 9
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DOE OSTI2024

Adsorption Properties of Au−Ni Surface Alloys with a Nonstoichiometric Moiré Structure: A Density Functional Theory Study

Due to the large lattice mismatch between gold and nickel, gold–nickel surface alloys can form unique nonstoichiometric overlayer structures characterized by a moiré pattern and subsurface defects. For this work, we performed density functional theory (DFT) calculations to study the adsorption of molecular oxygen, atomic hydrogen, and atomic carbon on a gold–nickel(111) surface alloy with 0.46 monolayer gold randomly distributed in the surface layer. We observed six distinct adsorption structures for molecular oxygen characterized by intramolecular stretching frequencies of <700, 729, 795, 857, 929, and 1004 cm –1 , which describe well the experimentally observed high-resolution electron energy-loss spectra. Surface atomic hydrogen adsorption is associated with adsorbate–surface modes in the ∼1000 cm –1 range, while subsurface hydrogen can have features as low as ∼400 cm –1 . We observed a unique adsorption structure for atomic carbon inside the surface dislocation loop defect, which explains the experimentally observed low carbon-surface mode at ∼340 cm –1 . Our study sheds light on the unique adsorption properties of the gold–nickel surface alloys and helps with rationalizing vibrational frequency experimental studies for this system.

adsorption↗
DOE OSTI2023

Global polarization of Λ and $\overline{Λ}$ hyperons in Au + Au collisions at $\sqrt{s_{NN}}$ = 19.6 and 27 GeV

In relativistic heavy-ion collisions, a global spin polarization, 𝑃 H , of Λ and $\overline{Λ}$ hyperons along the direction of the system angular momentum was discovered and measured across a broad range of collision energies and demonstrated a trend of increasing 𝑃 H with decreasing $\sqrt{s_{NN}}$. A splitting between Λ and $\overline{Λ}$ polarization may be possible due to their different magnetic moments in a late-stage magnetic field sustained by the quark-gluon plasma which is formed in the collision. The results presented in this study find no significant splitting at the collision energies of $\sqrt{s_{NN}}$ = 19.6 and 27 GeV in the BNL Relativistic Heavy Ion Collisions Beam Energy Scan Phase II using the STAR detector, with an upper limit of 𝑃 $\overline{Λ}$ – 𝑃 Λ < 0.24% and 𝑃 $\overline{Λ}$ – 𝑃 Λ < 0.35%, respectively, at a 95% confidence level. We derive an upper limit on the naive extraction of the late-stage magnetic field of 𝐵 < 9.4 × 10 12 T and 𝐵 < 1.4 × 10 13 T at $\sqrt{s_{NN}}$ = 19.6 and 27 GeV, respectively, although more thorough derivations are needed. Differential measurements of 𝑃 H were performed with respect to collision centrality, transverse momentum, and rapidity. With our current acceptance of |𝑦| < 1 and uncertainties, we observe no dependence on transverse momentum and rapidity in this analysis. Furthermore, these results challenge multiple existing model calculations following a variety of different assumptions which have each predicted a strong dependence on rapidity in this collision-energy range.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗