Technetium incorporation in scheelite: insights from first-principles-Reference-Cited by-同舟云学术

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Technetium incorporation in scheelite: insights from first-principles

Published:2016 Issue:45 Volume:45 Page:18171-18176
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Ackerman Matthew¹²³,Kim Eunja⁴⁵⁶³,Weck Philippe F.⁷⁸³,Chernesky Wendy⁹⁶³,Czerwinski Kenneth R.¹¹⁰⁶³

Affiliation:

1. Department of Chemistry

2. University of Chicago

3. USA

4. Department of Physics and Astronomy

5. University of Nevada Las Vegas

6. Las Vegas

7. Sandia National Laboratories

8. Albuquerque

9. Remote Sensing Laboratory-Nellis Air Force Base

10. University of Nevada

Abstract

The energetics of ⁹⁹Tc incorporation into the lattice of scheelite, CaWO₄, was investigated within the framework of density functional theory.

Funder

National Aeronautics and Space Administration

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/DT/C6DT03626K

Reference36 articles.

1. Room-Temperature Preparation, Characterization, and Photoluminescence Measurements of Solid Solutions of Various Compositionally-Defined Single-Crystalline Alkaline-Earth-Metal Tungstate Nanorods

2. A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 Crystals

3. One- and two-photon excited luminescence and band-gap assignment inCaWO4

4. Luminescence Dynamics in Tb3+-Doped CaWO4 and CaMoO4 Crystals

5. Synthesis and Optimum Luminescence of CaWO4-Based Red Phosphors with Codoping of Eu3+ and Na+

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1. Ab initio study of RaWO4: Comparison with isoelectronic tungstates;Journal of Solid State Chemistry;2023-01

2. First-principles study of elastic and thermal properties of scheelite-type molybdates and tungstates;Materials Today Communications;2020-09

3. Radionuclide incorporation in negative thermal expansion α-Zr(WO4)2: A density functional theory study;Chemical Physics Letters;2020-04

4. Spark Plasma Sintering of fine-grained SrWO4 and NaNd(WO4)2 tungstates ceramics with the scheelite structure for nuclear waste immobilization;Journal of Alloys and Compounds;2019-02

5. Crystal structures and phase transition behaviour in the 5d transition metal oxides AReO4 (A = Ag, Na, K, Rb, Cs and Tl);Dalton Transactions;2019

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