GLORIA

GEOMAR Library Ocean Research Information Access

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • AIP Publishing  (6)
  • 1
    Online Resource
    Online Resource
    AIP Publishing ; 2009
    In:  The Journal of Chemical Physics Vol. 130, No. 12 ( 2009-03-28)
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 130, No. 12 ( 2009-03-28)
    Abstract: Stimulated by the mass spectroscopic observation of the metallofullerene Ca@C44, we have performed a systematic investigation to search for the most stable isomer using HF/3-21G∼LanL2DZ, HF/6-31+G(d), B3LYP/6-31+G(d), and MP2/6-31+G(d)//B3LYP/6-31+G(d) methods. The Ca@C44 (D2:53) isomer with eight adjacent pentagons in the fullerene framework is predicted to possess the lowest energy. The thermodynamics stability explorations of Ca@C44 isomers at different temperatures show that Ca@C44 (D2:53) is the most thermodynamically stable in the temperature range of absolute zero to 4000 K. The encapsulation of Ca atom in C44 fullerene is exothermic, and the electronic structure of Ca@C44 (D2:53) can be described formally as Ca2+@C442−. Further analysis on the frontier molecular orbitals and density of states of Ca@C44 (D2:53) suggests that both highest occupied molecular orbital and lowest unoccupied molecular orbital are carbonlike with low Ca character, and the carbon cage possesses high chemical activity. In addition, the vibrational spectrum of Ca@C44 (D2:53) has been simulated and analyzed to gain an insight into the metal-cage vibrations.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2009
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
  • 2
    In: Applied Physics Letters, AIP Publishing, Vol. 113, No. 3 ( 2018-07-16)
    Abstract: The energy band alignment of the atomic-layer-deposited In2O3/β-Ga2O3 (2¯01) interface is evaluated by X-ray photoelectron spectroscopy. The X-ray diffraction pattern reveals that the In2O3 film grown at 160 °C is amorphous, while it becomes polycrystalline at a higher deposition temperature of 200 °C. The bandgaps, determined by reflection electron energy loss spectroscopy, are 4.65, 3.85, and 3.47 eV for β-Ga2O3, polycrystalline In2O3, and amorphous In2O3, respectively. Both amorphous and polycrystalline In2O3/β-Ga2O3 interfaces have Type I alignment. The conduction and valence band offsets at the polycrystalline (amorphous) In2O3/β-Ga2O3 interface are 0.35 and 0.45 eV (0.39 and 0.79 eV), respectively. These observations suggest that polycrystalline In2O3 as an intermediate semiconductor layer is beneficial to the barrier reduction of metal/Ga2O3 contact.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    RVK:
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2018
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
  • 3
    Online Resource
    Online Resource
    AIP Publishing ; 2019
    In:  Review of Scientific Instruments Vol. 90, No. 8 ( 2019-08-01)
    In: Review of Scientific Instruments, AIP Publishing, Vol. 90, No. 8 ( 2019-08-01)
    Abstract: The common error calibration model of a linear accelerometer usually cannot meet the accuracy requirement without considering the influence of misalignments in the precision centrifuge test. In order to improve the calibration accuracy, a series of coordinate systems is established and precise accelerations along the input axes of the accelerometers are deduced first. Then, by analyzing the mechanisms of the main error sources, the revised error calibration model is established which includes the misalignments, the radius errors, and the nonlinearity error terms. Then, the measurement methods are proposed to estimate the initial angular misalignments, the installation angular misalignments, and the installation radius misalignments by a theodolite and the accelerometer themselves in the different modes of the centrifuge, respectively. Finally, the experimental measurement results show that the initial angular misalignments are estimated accurately and less than 0.5′ after adjustment. Further investigation shows that the adequacy of the common error calibration model decline obviously and the calibration accuracies are lower than 6 × 10−3g/g without considering the misalignments. After compensating for the misalignments in the revised model, the error coefficients are identified precisely, and the calibration accuracies are higher than 1.5 × 10−3g/g.
    Type of Medium: Online Resource
    ISSN: 0034-6748 , 1089-7623
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2019
    detail.hit.zdb_id: 209865-9
    detail.hit.zdb_id: 1472905-2
    SSG: 11
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
  • 4
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 134, No. 3 ( 2011-01-21)
    Abstract: Following single-photon dissociation of CH2I2 at 248 nm, I2 molecular elimination is detected by using cavity ring-down absorption spectroscopy. The technique comprises two laser beams propagating in a perpendicular configuration, in which a tunable laser beam along the axis of the ring-down cell probes the I2 fragment in the B ${}^3\Pi _{ou}^ +$3Πou+ – X ${}^1\Sigma _g^ +$1Σg+ transition. The nascent vibrational populations for v = 0, 1, and 2 levels are obtained with a population ratio of 1:(0.65 ± 0.10):(0.30 ± 0.05), corresponding to a Boltzmann-like vibrational temperature of 544 ± 73 K. The quantum yield of the ground state I2 elimination reaction is determined to be 0.0040 ± 0.0025. With the aid of ab initio potential energy calculations, the pathway of molecular elimination is proposed on the energetic ground state CH2I2 via internal conversion, followed by asynchronous three-center dissociation. A positive temperature effect supports the proposed mechanism.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2011
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
  • 5
    Online Resource
    Online Resource
    AIP Publishing ; 2006
    In:  The Journal of Chemical Physics Vol. 124, No. 14 ( 2006-04-14)
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 124, No. 14 ( 2006-04-14)
    Abstract: An investigation of C36Xn (X=F,Cl,Br; n=2,4,6,12) formed from the initial C36 fullerene with D6h symmetry has been performed using the MP2 theory. Their equilibrium structures, reaction energies, strain energies, lowest unoccupied molecular orbital-highest occupied molecular orbital (LUMO-HOMO) gap energies, and aromaticities have been studied. The calculation results showed that those addition reaction were highly exothermic and C36Xn were more stable than C36. Moreover, from the view of thermodynamics it should be possible to detect C36X6. The LUMO-HOMO gap energies of C36Xn were higher than D6hC36 and the redox characteristics of C36Xn were weaker comparing to D6hC36. The analyses of π-orbital axis vector indicated that the chemical reactivity of C36 was the result of the high strain, and the nucleus independent chemical shifts research showed that the stabilities of the C36X6 were correlative with the conjugation effect.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2006
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
  • 6
    In: Applied Physics Letters, AIP Publishing, Vol. 103, No. 13 ( 2013-09-23)
    Abstract: High-efficiency hybrid solar cells based on nanostructured silicon and poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate), which were fabricated via a simple nanoimprint fabrication process, demonstrated an excellent power conversion efficiency of 10.86%. The complex and costly high-temperature photolithography and masking steps were replaced by techniques that are low-cost and capable of mass production. The nanopyramid structures fabricated on the silicon surface provided an antireflective effect and have a radial junction architecture that enhanced the light absorption and carrier collection efficiency. The short-circuit current density (Jsc) of the hybrid solar cell with nanopyramid structures was greatly improved from 24.5 mA/cm2 to 32.5 mA/cm2 compared with that of a flat surface device. The highest solar cell efficiency was achieved on a 525 μm-thick 2.3 Ω cm n-type Czochralski process (CZ) Si substrate with a designated area of 4 cm2.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    RVK:
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2013
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
    Location Call Number Limitation Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...