Exploration for New Catalysts Dedicated to a Green Environment (IMAGE)
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DFT calculations for energies diagram of GDY-lanthanide-metal based AC. a) The energy of initial adsorption and final desorption of HER on the lanthanide-based GDY AC. Without considering the energy changes within the HER process, the direct comparison of the final and initial reactions demonstrates the reaction preference. b) The volcano plot of the reaction energy of HER. c,d) The free energy diagram of the HER process.
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