On the importance of the electric double layer structure in aqueous electrocatalysis

To design electrochemical interfaces for efficient electric-chemical energy interconversion, it is critical to reveal the electric double layer (EDL) structure and relate it with electrochemical activity; nonetheless, this has been a long-standing challenge. Of particular, no molecular-level theories have fully explained the characteristic two peaks arising in the potential-dependence of the EDL capacitance, which is sensitively dependent on the EDL structure. We herein demonstrate that our first-principles-based molecular simulation reproduces the experimental capacitance peaks. The origin of two peaks emerging at anodic and cathodic potentials is unveiled to be an electrosorption of ions and a structural…

• NR
  National Research Foundation

  Award: 2021R1A5A1030054
• KI
  Korea Institute of Science and Technology
• KI
  Korea Institute of Science and Technology Information

  Award: KSC-2020-CHA-0006
• NR
  National Research Foundation of Korea

  Award: 2021R1A5A1030054
• MO
  Ministry of Science and ICT, South Korea

  Award: 2021R1A5A1030054
• SS
  Samsung Science and Technology Foundation

  Award: SSTF-BA2101-08
• S
  Samsung
• NS
  National Supercomputing Center, Korea Institute of Science and Technology Information

  Award: KSC-2020-CHA-0006