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Disclosing the Electronic Structure and Optical Properties of Ag4V2O7 crystals: Experimental and Theoretical Insights

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Fig.  1:  (a)  XRD  patterns  of  3D  hexagons-like  Ag 4 V 2 O 7   microcrystals  obtained  at  30  ºC  for  10  min  and  (b)  Rietveld  refinement  plots  3D  hexagons-like  Ag 4 V 2 O 7   microcrystals,  respectively
Fig.  2:  Schematic  representation  of  the  (a)  orthorhombic  unit  cells  corresponding to pure Ag 4 V 2 O 7  crystals and (b) their clusters, respectively
Fig.  4:  FE-SEM  images  for  3D  hexagons-like  Ag 4 V 2 O 7   microcrystals:  (a)  low  magnification, (b) intermediate magnification and (c) high magnification, (d)  Crystal  shape  simulated  computationally  and  their  optimized  surface  energies
Fig. 5: (a) UV-Vis spectrum and (b) band structure/DOS for 3D hexagons-like  Ag 4 V 2 O 7  microcrystals, respectively.

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