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At least 235 records · Page 13

Spectroscopic study of neodymium doped lead-bismuth-borate glasses

This paper reports on different physical and optical properties of rare earth doped heavy metal oxide glasses. The glass composition of 10Bi{sub 2}O{sub 3}-30PbO-60B{sub 2}O{sub 3}-xNd{sub 2}O{sub 3} where x = 0, 0.1, 0.2, 0.5 and 1 (in mol %) has been synthesized using melt-quenching technique. Refractive index measurements for these glasses were done and physical parameters were studied. Structural properties of these glasses were analysed through infrared spectra that was recorded between 1600cm{sup −1} and 300cm{sup −1} in transmission mode. The optical absorption spectra were recorded in the wavelength range from 300 to 700 nm. The transitions originated from ground state energy {sup 4}I{sub 9/2}. The energy level analysis has been carried out by considering absorption spectral bands. The results thus obtained are comparable with reports on similar glasses, indicating that the prepared glasses may have potential laser applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Consequences of sp 2 –sp 3 boron isomerization in supercooled liquid borates

In this study, time-resolved high-energy synchrotron x-ray total scattering measurements on supercooled molten lithium metaborate (LiBO 2 ) reveal an isomerization reaction involving conversion of trigonal sp 2 boron to tetrahedral sp 3 boron during quenching and glass formation. Van't Hoff analysis yields an accurate enthalpy change, ΔH = 21(1) kJ mol –1 boron, from which we develop an analytical model for the sp 3 isomer fraction and its contribution to configurational heat capacity (C p conf ) and entropy as a function of temperature and composition. Isomerization constitutes 40% of the total calorimetric C p conf at the glass transition for LiBO 2 and directly contributes to the observed rise in liquid fragility with the lithium content.

74 ATOMIC AND MOLECULAR PHYSICS↗

Lithium bis(2-methyllactato)borate monohydrate

The title compound {systematic name: poly[[aqualithium]-μ-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5 4-borataspiro[4.4]- nonane-2,7-dione]}, [Li(C 8 H 12 BO 6 )(H 2 O)]n (LiBMLB), forms a 12-membered macrocycle, which lies across a crystallographic inversion center. The lithium cations are pseudotetrahedrally coordinated by three methyllactate ligands and a water molecule. The asymmetric units couple across crystallographic inversion centers, forming the 12-membered macrocycles. These macrocycles, in turn, cross-link through the Li + cations, forming an infinite polymeric structure in two dimensions parallel to (101).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

New Synthetic Methods and Structure-Property Relationships in Neptunium, Plutonium, and Americium Borates. Final report

The past three years of support by the Heavy Elements Chemistry Program have been highly productive in terms of advanced degrees awarded, currently supported graduate students, peer-reviewed publications, and presentations made at universities, national laboratories, and at international conferences. Ph.D. degrees were granted to Shuao Wang and Juan Diwu, who both went on to post-doctoral appointments at the Glenn T. Seaborg Center at Lawrence Berkeley National Laboratory with Jeff Long and Ken Raymond, respectively. Pius Adelani completed his Ph.D. with me and is now a post-doc with Peter C. Burns. Andrea Alsobrook finished her Ph.D. and is now a post-doc at Savannah River with Dave Hobbs. Anna Nelson completed her Ph.D. and is now a post-doc with Rod Ewing at the University of Michigan. As can be gleaned from this list, students supported by the Heavy Elements Chemistry grant have remained interested in actinide science after leaving my program. This follows in line with previous graduates in this program such as Richard E. Sykora, who did his post-doctoral work at Oak Ridge National Laboratory with R. G. Haire, and Amanda C. Bean, who is a staff scientist at Los Alamos National Laboratory, and Philip M. Almond and Thomas C. Shehee, who are both staff scientists at Savannah River National Laboratory, Gengbang Jin who is a staff scientist at Argonne National Lab, and Travis Bray who has been a post-doc at both LBNL and ANL. Clearly this program is serving as a pipe-line for students to enter into careers in the national laboratories. About half of my students depart the DOE complex for academia or industry. My undergraduate researchers also remain active in actinide chemistry after leaving my group. Dan Wells was a productive undergraduate of mine, and went on to pursue a Ph.D. on uranium and neptunium chalcogenides with Jim Ibers at Northwestern. After earning his Ph.D., he went directly into the nuclear industry.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Ionic Borate-Based Covalent Organic Frameworks: Lightweight Porous Materials for Lithium-Stable Solid State Electrolytes

The synthesis and characterization of the first polyelectrolyte of intrinsic microporosity (PEIM) is described. The novel material was synthesized via reaction between the nitrile group in the polymer backbone and n-butyl lithium, effectively anchoring an imine anion to the porous framework while introducing a mobile lithium counterion. The PEIM was characterized by 13 C, 1 H, and 7 Li NMR experiments, revealing quantitative conversion of the nitrile functionality to the anionic imine. Variable temperature 7 Li NMR analysis of the dry PEIM and the electrolyteswollen PEIM revealed that lithium ion transport within the dry PEIM was largely due to interchain hopping of the Li + ions, and that the mobility of polymer associated Li + was reduced after swelling in electrolyte solution. Meanwhile, the swollen PEIM supported efficient transport of dissolved Li + within the expanded pores. These results are discussed in the context of developing novel solid or solid-like lithium ion electrolytes using the new PEIM material.

36 MATERIALS SCIENCE↗

Dataset from Manuscript: CO2 Electroreduction on Borated Copper Surfaces: Boron Active Sites, not Copper

(1) hcoverage-gcga: .db files with structures and data from GCGA sampling at various potentials (2) hcoverage-gcdft/vaspSC-finished.db: .db file with GCDFT calculations and structures on the sub-ensemble of various H coverages on CuB(3) int_ts: Optimized structures of intermediates and transition states for HER (H26.db and H39.db for LC and HC respectively), B migration (H33.db and H34.db), and CORR (H26.db and H39.db for LC and HC respectively)

Boron↗

Study of iron-borate materials systems processed in space

It was calculated that an FeBO3B2O3 glass-ceramic containing only 1 mole% FeBO3 would be equivalent for magnetooptic application to a YIG crystal of equal thickness. An Fe2O3B2O3 composition containing 2 mole% FeBO3 equivalent (98B) could be converted largely to a dense green, though opaque, FeBO3 glass-ceramic through suitable heat treatments. However, phase separation (and segregation) and Fe+3 reduction could not be entirely avoided with the various procedures that were employed. From light scattering calculations, it was estimated that about 100 A to allow 90% light transmission through a 1 cm thick sample. However, the actual FeBO3 crystallite sizes obtained in 98B were of the order of 1 micron or greater.

Neilson, G. F.↗