963,450 research outputs found
Scattering properties of the polyelectronic system
We study the equal-mass charge-neutral four-body system in the
adiabatic hyperspherical framework. The lowest few adiabatic potentials are
calculated for zero orbital angular momentum, positive parity, and charge
conjugation symmetries. Propagating the R-matrix, the low-energy -wave
scattering lengths of the singlet-singlet and triplet-triplet spin
configurations are calculated. Lastly, we calculate the S-matrix for energies
above the ionic threshold to estimate the transition rates between the single
ionic fragmentation channel and the lowest few dimer-dimer fragmentation
channels.Comment: 8 pages, 5 figure
Crossover from hc/e to hc/2e current oscillations in rings of s-wave superconductors
We analyze the crossover from an hc/e-periodicity of the persistent current
in flux threaded clean metallic rings towards an hc/2e-flux periodicity of the
supercurrent upon entering the superconducting state. On the basis of a model
calculation for a one-dimensional ring we identify the underlying mechanism,
which balances the hc/e versus the hc/2e periodic components of the current
density. When the ring circumference exceeds the coherence length of the
superconductor, the flux dependence is strictly hc/2e periodic. Further, we
develop a multi-channel model which reduces the Bogoliubov - de Gennes
equations to a one-dimensional differential equation for the radial component
of the wave function. The discretization of this differential equation
introduces transverse channels, whose number scales with the thickness of the
ring. The periodicity crossover is analyzed close the critical temperature
On the vibronic level structure in the NO_3 radical. Part III. Observation of intensity borrowing via ground state mixing
The A^2E" ← X^2A'_2 absorption spectrum exhibits vibronically allowed transitions from the
ground state of NO_3 to upper state levels having a"_1 and e' vibronic symmetries. This paper
explores the coupling mechanisms that lend intensities to these features. While transitions to e'
vibronic levels borrow intensity from the very strong B^2E' ← X^2A'_2 electronic transition, those to
a"_1 levels involve only negligible upper-state borrowing effects. Rather, it is the vibronic mixing of
the ground vibronic level of NO_3 with vibrational levels in the B^2E' electronic state that permit
the a"_1 levels to be seen in the spectrum. These ideas are supported by vibronic coupling
calculations. The fact that the intensities of features corresponding to the two different vibronic
symmetries are comparable is thus accidental
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Promoting H2O2 production via 2-electron oxygen reduction by coordinating partially oxidized Pd with defect carbon.
Electrochemical synthesis of H2O2 through a selective two-electron (2e-) oxygen reduction reaction (ORR) is an attractive alternative to the industrial anthraquinone oxidation method, as it allows decentralized H2O2 production. Herein, we report that the synergistic interaction between partially oxidized palladium (Pdδ+) and oxygen-functionalized carbon can promote 2e- ORR in acidic electrolytes. An electrocatalyst synthesized by solution deposition of amorphous Pdδ+ clusters (Pd3δ+ and Pd4δ+) onto mildly oxidized carbon nanotubes (Pdδ+-OCNT) shows nearly 100% selectivity toward H2O2 and a positive shift of ORR onset potential by ~320 mV compared with the OCNT substrate. A high mass activity (1.946 A mg-1 at 0.45 V) of Pdδ+-OCNT is achieved. Extended X-ray absorption fine structure characterization and density functional theory calculations suggest that the interaction between Pd clusters and the nearby oxygen-containing functional groups is key for the high selectivity and activity for 2e- ORR
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