Physical properties of Materials

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2:33 PM

Materials Project - Materials Science Community…: Electrode objects with negative voltage

posted on September 27, 2022 by acarnevali

Hi all! While browsing the Battery Explorer I stumbled across some electrodes with a negative calculated average voltage. I was wondering what was going on with these entries: is there an error in the calculations upstream? It seems difficult to me that TM oxides could have redox potentials below the one of Li+/Li, provided that this is the actual zero value. A couple examples I …

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8:57 PM

Q: Is there a way to estimate the energy of desorption of an adsorbed molecule?

I'm studying the adsorption of several molecules in metal organic frameworks (MOFs) using both experimental and computational methods. Experimetally I can easily obtain the temperature at which a molecule is adsorbed from the material. But I was wondering if there is a way to get the same informa...