Efficient calculation of the structural and electronic properties of mixed valence materials: application to Prussian Blue analogues

2004 ◽  
Vol 397 (1-3) ◽  
pp. 154-159 ◽  
Author(s):  
Jacek C. Wojdeł ◽  
Stefan T. Bromley
Keyword(s):  
Prussian Blue ◽  
Electronic Properties ◽  
Mixed Valence ◽  
Prussian Blue Analogues ◽  
Efficient Calculation ◽  
Structural And Electronic Properties

Thermal Decomposition of Prussian Blue Analogues of the Type Fe[Fe(CN)5NO]

2000 ◽  
Vol 55 (8) ◽  
pp. 685-690 ◽  
Author(s):  
Hidenari Inoue ◽  
Shuichi Narino ◽  
Naoki Yoshioka ◽  
Ekkehard Fluck
Keyword(s):  
Heat Treatment ◽  
Electrical Conductivity ◽  
Thermal Decomposition ◽  
Prussian Blue ◽  
Valence State ◽  
Mixed Valence ◽  
Starting Material ◽  
Mixed Valence State ◽  
Prussian Blue Analogues ◽  
Dark Blue

Abstract The structure and properties of the thermal decomposition products of Fe[Fe(CN)5NO] · x H2O (x = 5 ~ 6) have been studied by Mössbauer and FT-IR spectroscopy, X-ray diffraction, and conductivity measurements. The valence state and coordination environment of the iron ions change dramatically when the nitrosyl ligand is eliminated by heat-treatment under vacuum at 200 °C. The dark blue product obtained by heat-treatment under vacuum at 250 °C is characteristic of the mixed-valence state in Prussian blue analogues. The electrical conductivity of the dark blue product is higher by a factor of 103 than that of the starting material because of the mixed-valence state between Fe(III)[Fe(II)(CN)5] and Fe(II)[Fe(III)(CN)5]. Heat-treatment under vacuum at 350°C yields a new product Fe(II)[Fe(II)(CN)4] the crystal structure of which is different from that of the starting material. The electrical conductivity of the decomposition product obtained at 350 °C is about 105 times higher than that of the starting material.

scholarly journals Structural and Electronic Properties of Polyoxovanadoborates Containing the [V12B18O60] Core in Different Mixed Valence States

Inorganics ◽  
2015 ◽  
Vol 3 (3) ◽  
pp. 309-331 ◽  
Author(s):  
Patricio Hermosilla-Ibáñez ◽  
Karina Muñoz-Becerra ◽  
Verónica Paredes-García ◽  
Eric Fur ◽  
Evgenia Spodine ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Mixed Valence ◽  
Valence States ◽  
Structural And Electronic Properties

Mixed Valence Materials: Prussian Blue Analogues of Reduced Dimensionality (Small 16/2012)

Small ◽  
2012 ◽  
Vol 8 (16) ◽  
pp. 2449-2449
Author(s):  
Régis Y. N. Gengler ◽  
Luminita M. Toma ◽  
Emilio Pardo ◽  
Francesc Lloret ◽  
Xiaoxing Ke ◽  
...  
Keyword(s):  
Prussian Blue ◽  
Mixed Valence ◽  
Reduced Dimensionality ◽  
Prussian Blue Analogues

scholarly journals Tuning the Electronic Properties of Prussian Blue Analogues for Efficient Water Oxidation Electrocatalysis: Experimental and Computational Studies

2018 ◽  
Vol 24 (19) ◽  
pp. 4856-4863 ◽  
Author(s):  
Elif Pınar Alsaç ◽  
Emine Ülker ◽  
Satya Vijaya Kumar Nune ◽  
Yavuz Dede ◽  
Ferdi Karadas
Keyword(s):  
Prussian Blue ◽  
Electronic Properties ◽  
Water Oxidation ◽  
Computational Studies ◽  
Prussian Blue Analogues

Structural and electronic properties of ZnMgO/ZnO quantum wells

2005 ◽  
Vol 38 (4-6) ◽  
pp. 455-463 ◽  
Author(s):  
C. Morhain ◽  
X. Tang ◽  
M. Teisseire-Doninelli ◽  
B. Lo ◽  
M. Laügt ◽  
...  
Keyword(s):  
Quantum Wells ◽  
Electronic Properties ◽  
Structural And Electronic Properties
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