332 research outputs found
Thermodynamic description of Be(II) solubility and hydrolysis in acidic to hyperalkaline NaCl and KCl solutions
The solubility of Be(II) is investigated in carbonate-free dilute to concentrated HCl–NaCl–NaOH, KCl–KOH, NaOH and KOH solutions. Undersaturation experiments were performed under Ar atmosphere at T= (22 ± 2) °C. XRD, XPS, SEM and quantitative chemical analysis confirm that α-Be(OH)(cr) is the solid phase controlling the solubility in all evaluated systems. No transformation of α-Be(OH)(cr) to β-Be(OH)(cr) or ternary solid phases Na/K–Be(II)–OH(s) is observed in the investigated systems within the timeframe of this study (t ≤ 600 days). An amphoteric solubility behaviour of Be(II) is observed with a solubility minimum at pH ≈ 9.5 (with [Be(II)] ≈ 10M), regardless of the ionic strength. The combination of solubility data determined in acidic pH conditions and the hydrolysis scheme reported in the literature for cationic hydrolysis species of Be(II) is used for the determination of the solubility constant of α-Be(OH)(cr), log *K° = (6.9 ± 0.4). Slope analysis of the solubility data in alkaline to hyperalkaline conditions and Be NMR support the predominance of the monomeric hydrolysis species Be(OH)(aq), Be(OH)– and Be(OH) within the strongly alkaline pH-conditions relevant in cementitious systems. The comprehensive solubility dataset collected within this study in combination with extensive solid and aqueous phase characterization allow the development of a complete chemical, thermodynamic and (SIT) activity model for the system Be–Na–K–H–Cl–OH–HO(l). This model provides an accurate and robust tool for the evaluation of Be(II) solubility and speciation in a diversity of geochemical conditions, including source term calculations of beryllium in the context of the nuclear waste disposal Safety Case
Electronic and Magnetic Properties of Partially-Open Carbon Nanotubes
On the basis of the spin-polarized density functional theory calculations, we
demonstrate that partially-open carbon nanotubes (CNTs) observed in recent
experiments have rich electronic and magnetic properties which depend on the
degree of the opening. A partially-open armchair CNT is converted from a metal
to a semiconductor, and then to a spin-polarized semiconductor by increasing
the length of the opening on the wall. Spin-polarized states become
increasingly more stable than nonmagnetic states as the length of the opening
is further increased. In addition, external electric fields or chemical
modifications are usable to control the electronic and magnetic properties of
the system. We show that half-metallicity may be achieved and the spin current
may be controlled by external electric fields or by asymmetric
functionalization of the edges of the opening. Our findings suggest that
partially-open CNTs may offer unique opportunities for the future development
of nanoscale electronics and spintronics.Comment: 6 figures, to appear in J. Am. Chem. So
Theoretical Study of One-dimensional Chains of Metal Atoms in Nanotubes
Using first-principles total-energy pseudopotential calculations, we have
studied the properties of chains of potassium and aluminum in nanotubes. For BN
tubes, there is little interaction between the metal chains and the tubes, and
the conductivity of these tubes is through carriers located at the inner part
of the tube. In contrast, for small radius carbon nanotubes, there are two
types of interactions: charge-transfer (dominant for alkali atoms) leading to
strong ionic cohesion, and hybridization (for multivalent metal atoms)
resulting in a smaller cohesion. For Al-atomic chains in carbon tubes, we show
that both effects contribute. New electronic properties related to these
confined atomic chains of metal are analyzed.Comment: 12 pages + 3 figure
One-Way Entangled-Photon Autocompensating Quantum Cryptography
A new quantum cryptography implementation is presented that combines one-way
operation with an autocompensating feature that has hitherto only been
available in implementations that require the signal to make a round trip
between the users. Using the concept of advanced waves, it is shown that this
new implementation is related to the round-trip implementations in the same way
that Ekert's two-particle scheme is related to the original one-particle scheme
of Bennett and Brassard. The practical advantages and disadvantages of the
proposed implementation are discussed in the context of existing schemes.Comment: 5 pages, 1 figure; Minor edits--conclusions unchanged; accepted for
publication in Physical Review
Field-effect transistors assembled from functionalized carbon nanotubes
We have fabricated field effect transistors from carbon nanotubes using a
novel selective placement scheme. We use carbon nanotubes that are covalently
bound to molecules containing hydroxamic acid functionality. The functionalized
nanotubes bind strongly to basic metal oxide surfaces, but not to silicon
dioxide. Upon annealing, the functionalization is removed, restoring the
electronic properties of the nanotubes. The devices we have fabricated show
excellent electrical characteristics.Comment: 5 pages, 6 figure
Midinfrared Conductivity in Orientationally Disordered Doped Fullerides
The coupling between the intramolecular vibrational modes and the doped
conduction electrons in is studied by a calculation of the
electronic contributions to the phonon self energies. The calculations are
carried out for an orientationally ordered reference solid with symmetry and for a model with quenched orientational disorder on the
fullerene sites. In both cases, the dispersion and symmetry of the renormalized
modes is governed by the electronic contributions. The current current
correlation functions and frequency dependent conductivity through the
midinfrared are calculated for both models. In the disordered structures, the
renormalized modes derived from even parity intramolecular phonons are resonant
with the dipole excited single particle spectrum, and modulate the predicted
midinfrared conductivity. The spectra for this coupled system are calculated
for several recently proposed microscopic models for the electron phonon
coupling, and a comparison is made with recent experimental data which
demonstrate this effect.Comment: 32 pages + 9 postscript figures (on request), REVTeX 3.
Bundling up carbon nanotubes through Wigner defects
We show, using ab initio total energy density functional theory, that the
so-called Wigner defects, an interstitial carbon atom right besides a vacancy,
which are present in irradiated graphite can also exist in bundles of carbon
nanotubes. Due to the geometrical structure of a nanotube, however, this defect
has a rather low formation energy, lower than the vacancy itself, suggesting
that it may be one of the most important defects that are created after
electron or ion irradiation. Moreover, they form a strong link between the
nanotubes in bundles, increasing their shear modulus by a sizeable amount,
clearly indicating its importance for the mechanical properties of nanotube
bundles.Comment: 5 pages and 4 figure
Quantum Communication
Quantum communication, and indeed quantum information in general, has changed
the way we think about quantum physics. In 1984 and 1991, the first protocol
for quantum cryptography and the first application of quantum non-locality,
respectively, attracted a diverse field of researchers in theoretical and
experimental physics, mathematics and computer science. Since then we have seen
a fundamental shift in how we understand information when it is encoded in
quantum systems. We review the current state of research and future directions
in this new field of science with special emphasis on quantum key distribution
and quantum networks.Comment: Submitted version, 8 pg (2 cols) 5 fig
Superconductivity in Fullerides
Experimental studies of superconductivity properties of fullerides are
briefly reviewed. Theoretical calculations of the electron-phonon coupling, in
particular for the intramolecular phonons, are discussed extensively. The
calculations are compared with coupling constants deduced from a number of
different experimental techniques. It is discussed why the A_3 C_60 are not
Mott-Hubbard insulators, in spite of the large Coulomb interaction. Estimates
of the Coulomb pseudopotential , describing the effect of the Coulomb
repulsion on the superconductivity, as well as possible electronic mechanisms
for the superconductivity are reviewed. The calculation of various properties
within the Migdal-Eliashberg theory and attempts to go beyond this theory are
described.Comment: 33 pages, latex2e, revtex using rmp style, 15 figures, submitted to
Review of Modern Physics, more information at
http://radix2.mpi-stuttgart.mpg.de/fullerene/fullerene.htm
SARS-CoV-2 Vaccine Responses in Individuals with Antibody Deficiency: Findings from the COV-AD Study
BACKGROUND: Vaccination prevents severe morbidity and mortality from COVID-19 in the general population. The immunogenicity and efficacy of SARS-CoV-2 vaccines in patients with antibody deficiency is poorly understood. OBJECTIVES: COVID-19 in patients with antibody deficiency (COV-AD) is a multi-site UK study that aims to determine the immune response to SARS-CoV-2 infection and vaccination in patients with primary or secondary antibody deficiency, a population that suffers from severe and recurrent infection and does not respond well to vaccination. METHODS: Individuals on immunoglobulin replacement therapy or with an IgG less than 4 g/L receiving antibiotic prophylaxis were recruited from April 2021. Serological and cellular responses were determined using ELISA, live-virus neutralisation and interferon gamma release assays. SARS-CoV-2 infection and clearance were determined by PCR from serial nasopharyngeal swabs. RESULTS: A total of 5.6% (n = 320) of the cohort reported prior SARS-CoV-2 infection, but only 0.3% remained PCR positive on study entry. Seropositivity, following two doses of SARS-CoV-2 vaccination, was 54.8% (n = 168) compared with 100% of healthy controls (n = 205). The magnitude of the antibody response and its neutralising capacity were both significantly reduced compared to controls. Participants vaccinated with the Pfizer/BioNTech vaccine were more likely to be seropositive (65.7% vs. 48.0%, p = 0.03) and have higher antibody levels compared with the AstraZeneca vaccine (IgGAM ratio 3.73 vs. 2.39, p = 0.0003). T cell responses post vaccination was demonstrable in 46.2% of participants and were associated with better antibody responses but there was no difference between the two vaccines. Eleven vaccine-breakthrough infections have occurred to date, 10 of them in recipients of the AstraZeneca vaccine. CONCLUSION: SARS-CoV-2 vaccines demonstrate reduced immunogenicity in patients with antibody deficiency with evidence of vaccine breakthrough infection
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