Thermal decomposition of CuProp2: In-situ analysis of film and powder pyrolysis

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orcId Rasi, Silvia​ ​ ​ ​
Rasi, Silvia
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Fabrizio, Silveri
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Ricart, Susagna
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Obradors, Xavier
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Puig Molina, Teresa
orcId Roura Grabulosa, Pere​ researcherId Roura Grabulosa, Pere​ scopusId Roura Grabulosa, Pere​ ​
Roura Grabulosa, Pere
orcId Farjas Silva, Jordi​ researcherId Farjas Silva, Jordi​ scopusId Farjas Silva, Jordi​ ​
Farjas Silva, Jordi
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The thermal decomposition of CuProp2 in the form of film and powder was studied in different atmospheres by means of thermal analysis techniques (TG-MS, TG-IR, EGA), chemical-structural methods (FTIR, XRD, EA) and computational thermochemistry (VASP/PBE). The decomposition mechanism in terms of volatiles evolved was disclosed with the aid of ab-initio modeling; it was found to be dependent on the gas diffusion in and out of the sample and accelerated by a humid atmosphere. In films, the copper redox behavior showed sensitivity to the residual atmosphere. Finally, the role of the metal center is discussed in the frame of a general decomposition mechanism for metal propionates ​
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