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First-principles thermodynamics enables the description of the surface chemistry of inorganic materials as a function of temperature and partial pressures of atmospheric gases, providing a framework to connect atomistic simulations with macroscopic materials properties. Here we re-examine the surface chemistry of LiFePO4 (LFP), a widely studied material for use as the cathode in Li-ion batteries. Our results reveal that at room temperature and under standard pressures the LFP (01 surface is covered with water. At elevated temperatures
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