More Like this

1. Diffusion Monte Carlo studies of MB-pol (H 2 O) 2−6 and (D 2 O) 2−6 clusters: Structures and binding energies

   https://doi.org/10.1063/1.4960610  

   Mallory, Joel D. ; Mandelshtam, Vladimir A. ( August 2016 , The Journal of Chemical Physics)
2. Crystal structures of three copper(II)–2,2′-bipyridine (bpy) compounds, [Cu(bpy) 2 (H 2 O)][SiF 6 ]·4H 2 O, [Cu(bpy) 2 (TaF 6 ) 2 ] and [Cu(bpy) 3 ][TaF 6 ] 2 and a related coordination polymer, [Cu(bpy)(H 2 O) 2 SnF 6 ] n

   https://doi.org/10.1107/S2056989021000633  

   Nisbet, Matthew L. ; Hiralal, Emily ; Poeppelmeier, Kenneth R. ( February 2021 , Acta Crystallographica Section E Crystallographic Communications)

   null (Ed.)

   We report the hydrothermal syntheses and crystal structures of aquabis(2,2′-bipyridine-κ 2 N , N ′)copper(II) hexafluoridosilicate tetrahydrate, [Cu(bpy) 2 (H 2 O)][SiF 6 ]·4H 2 O (bpy is 2,2′-bipyridine, C 10 H 8 N 2 ), (I), bis(2,2′-bipyridine-3κ 2 N , N ′)-di-μ-fluorido-1:3κ 2 F : F ;2:3κ 2 F : F -decafluorido-1κ 5 F ,2κ 5 F -ditantalum(V)copper(II), [Cu(bpy) 2 (TaF 6 ) 2 ], (II), tris(2,2′-bipyridine-κ 2 N , N ′)copper(II) bis[hexafluoridotantalate(V)], [Cu(bpy) 3 ][TaF 6 ] 2 , (III), and catena -poly[[diaqua(2,2′-bipyridine-κ 2 N , N ′)copper(II)]-μ-fluorido-tetrafluoridotin-μ-fluorido], [Cu(bpy)(H 2 O) 2 SnF 6 ] n , (IV). Compounds (I), (II) and (III) contain locally chiral copper coordination complexes with C 2 , D 2 , and D 3 symmetry, respectively. The extended structures of (I) and (IV) are consolidated by O—H...F and O—H...O hydrogen bonds. The structure of (III) was found to be a merohedral (racemic) twin. 

   more » « less
3. NaCa 0.6 V 6 O 16 ·3H 2 O as an Ultra‐Stable Cathode for Zn‐Ion Batteries: The Roles of Pre‐Inserted Dual‐Cations and Structural Water in V 3 O 8 Layer

   https://doi.org/10.1002/aenm.201901968  

   Zhu, Kaiyue ; Wu, Tao ; Huang, Kevin ( August 2019 , Advanced Energy Materials)

   Rechargeable aqueous batteries with Zn²⁺as a working‐ion are promising candidates for grid‐scale energy storage because of their intrinsic safety, low‐cost, and high energy‐intensity. However, suitable cathode materials with excellent Zn²⁺‐storage cyclability must be found in order for Zinc‐ion batteries (ZIBs) to find practical applications. Herein, NaCa_0.6V₆O₁₆·3H₂O (NaCaVO) barnesite nanobelts are reported as an ultra‐stable ZIB cathode material. The original capacity reaches 347 mAh g⁻¹at 0.1 A g⁻¹, and the capacity retention rate is 94% after 2000 cycles at 2 A g⁻¹and 83% after 10 000 cycles at 5 A g⁻¹, respectively. Through a combined theoretical and experimental approach, it is discovered that the unique V₃O₈layered structure in NaCaVO is energetically favorable for Zn²⁺diffusion and the structural water situated between V₃O₈layers promotes a fast charge‐transfer and bulk migration of Zn²⁺by enlarging gallery spacing and providing more Zn‐ion storage sites. It is also found that Na⁺and Ca²⁺alternately suited in V₃O₈layers are the essential stabilizers for the layered structure, which play a crucial role in retaining long‐term cycling stability.

    

   more » « less
4. σ‐Aromaticity‐Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn 6 Ge 16 ] 4− and [Cd 6 Ge 16 ] 4−

   https://doi.org/10.1002/anie.202008276  

   Xu, Hong‐Lei ; Popov, Ivan A. ; Tkachenko, Nikolay V. ; Wang, Zi‐Chuan ; Muñoz‐Castro, Alvaro ; Boldyrev, Alexander I. ; Sun, Zhong‐Ming ( September 2020 , Angewandte Chemie International Edition)

   null (Ed.)
5. Thermal Atomic Layer Etching of MoS 2 Using MoF 6 and H 2 O

   https://doi.org/10.1021/acs.chemmater.2c02549  

   Soares, Jake ; Mane, Anil U. ; Choudhury, Devika ; Letourneau, Steven ; Hues, Steven M. ; Elam, Jeffrey W. ; Graugnard, Elton ( January 2023 , Chemistry of Materials)