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Seung-Jae Shin

Ulsan National Institute of Science and Technology · Energy

About the Lab

Professor Seung-Jae Shin's research lab specializes in computational and electrochemical materials science, focusing on the atomic-scale design of electrocatalysts and energy storage materials. The lab investigates the electric double layer structure and its impact on electrochemical reactivity, particularly in reactions such as CO2 reduction and zinc-ion battery cycling. Using first-principles simulations, the group uncovers the role of ion speciation, hydration structure, and interfacial electronic effects in determining reaction mechanisms and performance. Their work bridges molecular-level simulations with experimental electrochemistry to guide the development of efficient, stable, and selective electrochemical interfaces.

electrochemical interfaceselectric double layerelectrocatalysisenergy storagefirst-principles simulation

Research Overview

Papers
68
Total Citations
2,192
Papers (5y)
46
Primary Field
Energy

Research Output Trend

Figures are computed from collected data and may differ slightly.

Publications per year (5y)
46total
2022
2023
2024
2025
2026
Citations per year (5y)
1,214total
20222023202420252026

Selected Papers

15
1
Article|456 citations·2020
Time-resolved observation of C–C coupling intermediates on Cu electrodes for selective electrochemical CO2reduction
Younghye Kim, Sojung Park, Seung‐Jae Shin, Woong Choi, Byoung Koun Min, Hyungjun Kim, Wooyul Kim, Yun Jeong Hwang
SJR Q1Energy & Environmental Science

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

Renewable Energy, Sustainability and the EnvironmentEnergy
2
Article|292 citations·2022
On the importance of the electric double layer structure in aqueous electrocatalysis
Seung‐Jae Shin, Dong Hyun Kim, Geunsu Bae, Stefan Ringe, Hansol Choi, Hyung‐Kyu Lim, Chang Hyuck Choi, Hyungjun Kim
SJR Q1Nature CommunicationsOA

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

ElectrochemistryChemistry
3
Article|219 citations·2023
Metal–Organic Framework Supercapacitors: Challenges and Opportunities
Seung‐Jae Shin, Jamie W. Gittins, Chloe J. Balhatchet, Aron Walsh, Alexander C. Forse
SJR Q1Advanced Functional MaterialsOA

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

Electronic, Optical and Magnetic MaterialsMaterials Science
4
Article|216 citations·2022
A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction
Seung‐Jae Shin, Hansol Choi, Stefan Ringe, Da Hye Won, Hyung‐Suk Oh, Dong Hyun Kim, Taemin Lee, Dae‐Hyun Nam, Hyungjun Kim, Chang Hyuck Choi
SJR Q1Nature CommunicationsOA

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

Renewable Energy, Sustainability and the EnvironmentEnergy
5
Article|101 citations·2022
Cationic Additive with a Rigid Solvation Shell for High‐Performance Zinc Ion Batteries
Minkwan Kim, Seung‐Jae Shin, Jimin Lee, Youngbin Park, Yangmoon Kim, Hyungjun Kim, Jang Wook Choi
SJR Q1Angewandte Chemie International Edition

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

Electrical and Electronic EngineeringEngineering
6
Article|96 citations·2018
α‐MnO2 Nanowire‐Anchored Highly Oxidized Cluster as a Catalyst for Li‐O2 Batteries: Superior Electrocatalytic Activity and High Functionality
Tae‐Ha Gu, Daniel Adjei Agyeman, Seung‐Jae Shin, Xiaoyan Jin, Jang Mee Lee, Hyungjun Kim, Yong‐Mook Kang, Seong‐Ju Hwang
SJR Q1Angewandte Chemie International Edition

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

Electrical and Electronic EngineeringEngineering
7
Article|94 citations·2019
Metal–Oxide Interfaces for Selective Electrochemical C–C Coupling Reactions
Chan Woo Lee, Seung‐Jae Shin, Hyejin Jung, Dang Le Tri Nguyen, Si Young Lee, Woong Hee Lee, Da Hye Won, Min Gyu Kim, Hyung‐Suk Oh, Taehwan Jang, Hyungjun Kim, Byoung Koun Min
SJR Q1ACS Energy Letters

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

Renewable Energy, Sustainability and the EnvironmentEnergy
8
Article|89 citations·2020
Dynamic metal-polymer interaction for the design of chemoselective and long-lived hydrogenation catalysts
Songhyun Lee, Seung‐Jae Shin, Hoyong Baek, Yeonwoo Choi, Kyunglim Hyun, Myungeun Seo, Kyunam Kim, Dong‐Yeun Koh, Hyungjun Kim, Minkee Choi
SJR Q1Science AdvancesOA

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

Organic ChemistryChemistry
9
Article|43 citations·2023
Microscopic Origin of Electrochemical Capacitance in Metal–Organic Frameworks
Seung‐Jae Shin, Jamie W. Gittins, Matthias Golomb, Alexander C. Forse, Aron Walsh
SJR Q1Journal of the American Chemical SocietyOA

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

ElectrochemistryChemistry
10
Preprint|43 citations·2023
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
Seung‐Jae Shin, Jamie W. Gittins, Chloe J. Balhatchet, Aron Walsh, Alexander C. Forse
ChemRxivOA

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

Electronic, Optical and Magnetic MaterialsMaterials Science
11
Preprint|15 citations·2022
A Unifying Mechanism for Cation Effect Modulating C1 and C2 Productions from CO2 Electroreduction
Seung‐Jae Shin, Hansol Choi, Stefan Ringe, Da Hye Won, Hyung‐Suk Oh, Dong Hyun Kim, Taemin Lee, Dae‐Hyun Nam, Hyungjun Kim, Chang Hyuck Choi
Research SquareOA
Renewable Energy, Sustainability and the EnvironmentEnergy
12
Article|11 citations·2025
Non-volatile solid-state 4-(N-carbazolyl)pyridine additive for perovskite solar cells with improved thermal and operational stability
Kihoon Kim, Sangjin Yang, Chanhyeok Kim, Jeewon Park, Seok–Hwan Jeong, Youngmin Kim, Jinsoo Park, Zhe Sun, Minseok Kang, Bong Joo Kang, Juhong Oh, Jae Sung Yun
SJR Q1Nature Energy
Electrical and Electronic EngineeringEngineering
13
Preprint|7 citations·2023
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
Seung‐Jae Shin, Jamie W. Gittins, Chloe J. Balhatchet, Aron Walsh, Alexander C. Forse
ChemRxivOA

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

Electronic, Optical and Magnetic MaterialsMaterials Science
14
Article|3 citations·2024
Electrochemical interface modelling for electrocatalytic materials design
Lucas G. Verga, Seung‐Jae Shin, Aron Walsh
SJR Q1Current Opinion in ElectrochemistryOA

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

CatalysisChemical Engineering
15
Preprint|2 citations·2021
Electric double layer structure in aqueous electrolyte and its electrocatalytic importance
Seung‐Jae Shin, Dong Hyun Kim, Geunsu Bae, Stefan Ringe, Hansol Choi, Hyung‐Kyu Lim, Chang Hyuck Choi, Hyungjun Kim
Research SquareOA

Abstract 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

Physical and Theoretical ChemistryChemistry

Research Areas

Renewable Energy, Sustainability and the EnvironmentElectrical and Electronic EngineeringInorganic ChemistryElectronic, Optical and Magnetic MaterialsMaterials ChemistryElectrochemistry

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