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   Gonzalez, Megan E.; Eckert, Juergen; Aquino, Adelia J.; Poirier, Bill (April 2018, The Journal of Chemical Physics)
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   https://doi.org/10.1039/D1DT01600H  

   Imasato, Kazuki; Anand, Shashwat; Gurunathan, Ramya; Snyder, G. Jeffrey (July 2021, Dalton Transactions)

   Mg 3 Sb 2 –Mg 3 Bi 2 alloys have been heavily studied as a competitive alternative to the state-of-the-art n-type Bi 2 (Te,Se) 3 thermoelectric alloys. Using Mg 3 As 2 alloying, we examine another dimension of exploration in Mg 3 Sb 2 –Mg 3 Bi 2 alloys and the possibility of further improvement of thermoelectric performance was investigated. While the crystal structure of pure Mg 3 As 2 is different from Mg 3 Sb 2 and Mg 3 Bi 2 , at least 15% arsenic solubility on the anion site (Mg 3 ((Sb 0.5 Bi 0.5 ) 1−x As x ) 2 : x = 0.15) was confirmed. Density functional theory calculations showed the possibility of band convergence by alloying Mg 3 Sb 2 –Mg 3 Bi 2 with Mg 3 As 2 . Because of only a small detrimental effect on the charge carrier mobility compared to cation site substitution, the As 5% alloyed sample showed zT = 0.6–1.0 from 350 K to 600 K. This study shows that there is an even larger composition space to examine for the optimization of material properties by considering arsenic introduction into the Mg 3 Sb 2 –Mg 3 Bi 2 system. 

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3. Unlocking the thermoelectric potential of the Ca ₁₄ AlSb ₁₁ structure type

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5. The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5‐(CF ₃ ) ₂ Pz]Ag} ₃

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   Alkorta, Ibon; Benito, María Teresa; Elguero, José; Doyagüez, Elisa García; Patterson, Monika R.; Jimeno, María Luisa; Dias, H. V. Rasika; Reviriego, Felipe (January 2022, Magnetic Resonance in Chemistry)

   Abstract A series of DOSY experiments have been carried out to determine the solution stoichiometry of silver(I) 3,5‐bis (trifluoromethyl)pyrazolate species. This compound exists as a trimer in the solid state (n = 3) but in solutions of chlorinated solvents, the DOSY data suggest the presence of a mixture of solvent stabilized monomer (n = 1) and dimer (n = 2) in equilibrium. Different approximations have been used including the Stokes–Einstein and the Stokes–Einstein–Gierer–Wirtz equations. Some methodological problems are discussed. 

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