Absorption and Raman spectra of Se8-ring clusters in zeolite 5A

Lin, Zhaojun; Chen, W.; Lir, L.; Li, G.; Liu, Z.; Han, Hongxian; Wang, Z.

doi:10.1016/s0038-1098(96)00526-1

Cited by 21 publications

(10 citation statements)

References 3 publications

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“…The structural confinement of Se atoms within the 200-to 400-nm spheres caused the decrease in the bandgap and resulted from increased -and -d transitions. This phenomenon is akin to that which has been observed elsewhere from clustering effects when increased Se ring-ring interactions caused a red shift (lower energy) in the absorption spectrum (22). This was apparent in the spectral differences among the three biological samples when they were compared to the chemically formed red, amorphous Se(0) (Fig.…”

Section: Resultssupporting

confidence: 60%

Structural and spectral features of selenium nanospheres produced by Se-respiring bacteria

Oremland

Curran²,

Ellis³

et al.

Bio-, Micro-, and Nanosystems (IEEE Cat. No.03EX733)

150

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Certain anaerobic bacteria respire toxic selenium oxyanions and in doing so produce extracellular accumulations of elemental selenium [Se(0)]. We examined three physiologically and phylogenetically diverse species of selenate-and selenite-respiring bacteria, Sulfurospirillum barnesii, Bacillus selenitireducens, and Selenihalanaerobacter shriftii, for the occurrence of this phenomenon. When grown with selenium oxyanions as the electron acceptor, all of these organisms formed extracellular granules consisting of stable, uniform nanospheres (diameter, ϳ300 nm) of Se (0)

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Section: Resultssupporting

confidence: 60%

Structural and spectral features of selenium nanospheres produced by Se-respiring bacteria

Oremland

Curran²,

Ellis³

et al.

Bio-, Micro-, and Nanosystems (IEEE Cat. No.03EX733)

150

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“…Whereas the Se/MnMC‐B and Se/MnMC‐N samples do not show the three characteristic peaks mentioned above. For the Se/MnMC‐N sample, after having undergone the Se impregnation process, the 235 cm −1 peak exhibited a blue‐shift to 262 cm −1 , which can be attributed to the ring‐structured Se 8 . For the Se/MnMC‐B sample, there was no obvious peak in the Raman spectrum, indicating the successful impregnation of Se into the MnMC pores without long‐range ordering, with a possible change in the form of Se in the Se/MnMC‐B sample.…”

Section: Resultsmentioning

confidence: 97%

A New Salt‐Baked Approach for Confining Selenium in Metal Complex‐Derived Porous Carbon with Superior Lithium Storage Properties

Liang

Hou

et al. 2015

Adv Funct Materials

122

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For lithium‐selenium batteries, commercial applications are hindered by the inferior electrical conductivity of selenium and the low utilization ratio of the active selenium. Here, we report a new baked‐in‐salt approach to enable Se to better infiltrate into metal‐complex‐derived porous carbon (Se/MnMC‐B). The approach uses the confined, narrow space that is sandwiched between two compact NaCl solid disks, thus avoiding the need for protection with argon or a vacuum environment during processing. The electrochemical properties for both lithium and sodium storage of our Se/MnMC‐B cathode were found to be outstanding. For lithium storage, the Se/MnMC‐B cathode (with 72% selenium loading) exhibited a capacity of 580 mA h g−1 after 1000 cycles at 1 C, and an excellent rate capability was achieved at 20 C and 510 mA h g−1. For sodium storage, a specific capacity of 535 mA h g−1 was achieved at 0.1 C after 150 cycles. These results demonstrate the potential of this approach as a new effective general synthesis method for confining other low melting point materials into a porous carbon matrix.

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“…0.14 a.u. for the Se 8 and Se 12 clusters incorporated in zeolite A [23,29]. The ha e i(-x;x) values are given in Table 6 together with the static figures for comparison.…”

Section: Dipole Polarizabilitiesmentioning

confidence: 99%

“…The structure of evennumbered Se 6 , Se 8 and Se 12 clusters introduced into monodimensional channels of AlPO 4 -5 single crystals, mordenite and zeolite cavities were extensively characterized by Raman spectroscopy [12,13,[23][24][25][26][27][28][29][30][31][32][33][34]. Selenium clusters adsorbed into zeolite channels are bonded to each other and to the host matrices by van der Waals forces controlled by the polarizabilities of the clusters [21,35].…”

Section: Introductionmentioning

confidence: 99%

Structural, energetic and response electric properties of cyclic selenium clusters: an ab initio and density functional theory study

Alparone

2012

Theor Chem Acc

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The geometries, relative stabilities, binding energies, second-order difference of total energy (D 2 E), vertical ionization energies (VIEs), vertical electron affinities (VEAs) and dipole polarizabilities of neutral Se 2 and cyclic Se n (n = 3-12) clusters have been systematically investigated using conventional ab initio [HF, MP2, MP3, MP4, CCSD, CCSD(T)] and density functional theory (B3LYP, CAM-B3LYP) levels with the Dunning's correlation-consistent (cc-pVDZ, aug-cc-pVDZ, d-aug-ccpVDZ and aug-cc-pVTZ) and Sadlej (POL and POL-DK) basis sets. For each cluster size, various structural isomers have been considered and optimized to search for the lowest-energy structure. The effects of the geometry, basis set and theoretical level on the calculated properties have been discussed. The relative stability of the clusters has been analyzed using binding energy per atom, D 2 E and VIE-VEA gap. The computed binding energies and VIEs have been compared with the available observed data. The calculated properties show a strong dependence upon the size and geometry of the cluster. The even-numbered Se n with n = 6 and 8 are predicted to be relatively stable clusters. The physico-chemical properties of selenium clusters have been compared to those of the sulphur homologues. On passing from sulphur to selenium clusters the binding energy per atom decreases, whereas the mean dipole polarizability per atom increases.

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Absorption and Raman spectra of Se8-ring clusters in zeolite 5A

Cited by 21 publications

References 3 publications

Structural and spectral features of selenium nanospheres produced by Se-respiring bacteria

Structural and spectral features of selenium nanospheres produced by Se-respiring bacteria

A New Salt‐Baked Approach for Confining Selenium in Metal Complex‐Derived Porous Carbon with Superior Lithium Storage Properties

Structural, energetic and response electric properties of cyclic selenium clusters: an ab initio and density functional theory study

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