Estimation of electrochemical cell potentials and reaction energies using Fermi energies
Mohammad Mahdi Kalantarian, Amir Haghipour
Abstract
The difference between Fermi energies of the products and reactants corresponds to the cell-voltage or reaction-energy. This approach is approved for cell-voltage of important Li-ion electrodes using DFT calculations.
Topics & Concepts
Fermi Gamma-ray Space TelescopeFermi energyElectrochemistryFermi levelAtomic physicsIonCathodeThomas–Fermi modelVoltageEnergy (signal processing)ChemistryElectrodePhysicsMaterials scienceCondensed matter physicsElectronPhysical chemistryQuantum mechanicsAdvancements in Battery MaterialsAdvanced Battery Technologies ResearchAdvanced Battery Materials and Technologies