Seung-Jae Shin

In real-time measurements, CO dimerization occurred concurrently with CO adsorption (∼5 s), while proton-coupled reduction toward *CHO has slower kinetics (∼30 s).

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 firs

Abstract Supercapacitors offer superior energy storage capabilities than traditional capacitors, making them useful for applications such as electric vehicles and rapid large‐scale energy storage. The energy storage performance of these devices relies on electrical double‐layer capacitance and/or pseudocapacitance from rapid reversible redox reactions. Metal–organic frameworks (MOFs) have recently emerged as a new class of electrode materials with promising supercapacitor performances and capaci

Abstract Electrocatalysis, whose reaction venue locates at the catalyst–electrolyte interface, is controlled by the electron transfer across the electric double layer, envisaging a mechanistic link between the electron transfer rate and the electric double layer structure. A fine example is in the CO 2 reduction reaction, of which rate shows a strong dependence on the alkali metal cation (M + ) identity, but there is yet to be a unified molecular picture for that. Using quantum-mechanics-based a

Abstract Despite substantial progresses, in aqueous zinc ion batteries (AZIBs), developing zinc metal anodes with long‐term reliable cycling capabilities is nontrivial because of dendritic growth and related parasitic reactions on the zinc surface. Here, we exploit the tip‐blocking effect of a scandium (Sc 3+ ) additive in the electrolyte to induce uniform zinc deposition. Additional to the tri‐valency of Sc 3+ , the rigidity of its hydration shell effectively prevents zinc ions from concentrati

Abstract An effective chemical way to optimize the oxygen electrocatalyst and Li‐O 2 electrode functionalities of metal oxide can be developed by the control of chemical bond nature with the surface anchoring of highly oxidized selenate (SeO 4 2− ) clusters. The bond competition between (Se 6+ −O) and (Mn−O) bonds is quite effective in stabilizing Jahn–Teller‐active Mn 3+ state and in increasing oxygen electron density of α‐MnO 2 nanowire (NW). The selenate‐anchored α‐MnO 2 NW shows excellent ox

Metal–oxide interfaces provide a new opportunity to improve catalytic activity based on electronic and chemical interactions at the interface. Constructing a high density of interfaces is essential in maximizing synergistic interactions. Here, we demonstrate that Cu–ceria interfaces made by sintering nanocrystals facilitate C–C coupling reactions in electrochemical reduction of CO2. The Cu/ceria catalyst enhances the selectivity of ethylene and ethanol production with the suppression of H2 evolu

activation only in the presence of acetylene that has a strong binding affinity to Pd and thus can disturb the Pd-PPS interface. Once acetylene is hydrogenated to weakly binding ethylene, re-adsorption of PPS on the Pd surface repels ethylene before it is further hydrogenated to ethane. The Pd-PPS interaction enables selective partial hydrogenation of acetylene to ethylene even in an ethylene-rich stream and suppresses catalyst deactivation due to coke formation. The results manifest the unique

High Resolution Image Download MS PowerPoint Slide Electroconductive metal–organic frameworks (MOFs) have emerged as high-performance electrode materials for supercapacitors, but the fundamental understanding of the underlying chemical processes is limited. Here, the electrochemical interface of Cu 3 (HHTP) 2 (HHTP = 2,3,6,7,10,11-hexahydroxytriphenylene) with an organic electrolyte is investigated using a multiscale quantum-mechanics/molecular-mechanics (QM/MM) procedure and experimental electr

Supercapacitors offer superior energy storage capabilities than traditional capacitors, making them useful for applications such as electric vehicles and rapid large-scale energy storage. The energy storage performance of these devices relies on electrical double-layer capacitance and/or pseudo-capacitance from rapid reversible redox reactions. Metal-organic frameworks (MOFs) have recently emerged as a new class of electrode materials with promising supercapacitor performances and capacitances t

Supercapacitors offer superior energy storage capabilities than traditional capacitors, making them useful for applications such as electric vehicles and rapid large-scale energy storage. The energy storage performance of these devices relies on electrical double-layer capacitance and/or pseudo-capacitance from rapid reversible redox reactions. Metal-organic frameworks (MOFs) have recently emerged as a new class of electrode materials with promising supercapacitor performances and capacitances t

The advancement of net-zero emissions technologies requires an in-depth understanding of electrochemical reactions at electrified interfaces. Essential processes such as green hydrogen production and CO 2 reduction require sustainable electrocatalysts tailored for varied operational conditions. Computational techniques in electrocatalysis serve as crucial tools for providing microscopic insights and guiding towards higher-performing materials. Traditional modelling frameworks require approximati

Converting carbon dioxide (CO2) into valuable products is one of the most important processes for a sustainable society. Especially, the electrochemical CO2 reduction reaction (CO2RR) offers an effective means, but its reaction mechanism is not yet fully understood. Here, we demonstrate that cation-coupled electron transfer (CCET) is a rate-determining step in the CO2RR to carbon monoxide. The first-principles-based multiscale simulation identifies a single cation that coordinates a CO2− interme