TY - JOUR
T1 - Synergistic integration of 2D TiN/TiC and Fe single atoms for high-performance and durable oxygen reduction catalysis
AU - Nguyen, Quoc Hao
AU - Zewdie, Getasew Mulualem
AU - Thuc, Vu Dong
AU - Oh, Sion
AU - Im, Kyungmin
AU - Kim, Dukjoon
AU - Shin, Hyeyoung
AU - Lee, Lawrence Yoon Suk
AU - Kim, Jinsoo
N1 - Publisher Copyright:
© 2025 Science Press
PY - 2026/2
Y1 - 2026/2
N2 - Iron-based single-atom (SA) catalysts offer a promising alternative to noble-metal catalysts for the oxygen reduction reaction (ORR), yet their limited intrinsic activity and durability hinder practical energy device applications. Herein, we introduce a novel TiN/TiC-supported Fe SA catalyst (TiNC/Fe–NC) with a hierarchical heterostructure that synergistically enhances Fe–Nx site activity and accessibility. The TiNC/Fe–NC catalyst achieves outstanding ORR performances, with half-wave potentials (E1/2) of 0.852 V in acidic media and 0.942 V in alkaline media. Theoretical simulations reveal that strong electronic interaction and efficient charge transfer between TiNC and Fe–Nx sites optimize the adsorption energetics of key ORR intermediates, driving the enhanced activity. Remarkably, TiNC effectively scavenges reactive oxygen radicals generated at the Fe centers, ensuring exceptional durability with a minimal 28 mV loss in E1/2 after 10,000 cycles at 80 °C in acid media. In practical applications, TiNC/Fe–NC delivers peak power densities of 306 mW cm−2 in zinc-air battery and 732 mW cm−2 in proton exchange membrane fuel cells, with remarkable long-term stability. This work establishes TiNC/Fe–NC as a high-performance, durable catalyst for advanced energy storage and conversion technologies.
AB - Iron-based single-atom (SA) catalysts offer a promising alternative to noble-metal catalysts for the oxygen reduction reaction (ORR), yet their limited intrinsic activity and durability hinder practical energy device applications. Herein, we introduce a novel TiN/TiC-supported Fe SA catalyst (TiNC/Fe–NC) with a hierarchical heterostructure that synergistically enhances Fe–Nx site activity and accessibility. The TiNC/Fe–NC catalyst achieves outstanding ORR performances, with half-wave potentials (E1/2) of 0.852 V in acidic media and 0.942 V in alkaline media. Theoretical simulations reveal that strong electronic interaction and efficient charge transfer between TiNC and Fe–Nx sites optimize the adsorption energetics of key ORR intermediates, driving the enhanced activity. Remarkably, TiNC effectively scavenges reactive oxygen radicals generated at the Fe centers, ensuring exceptional durability with a minimal 28 mV loss in E1/2 after 10,000 cycles at 80 °C in acid media. In practical applications, TiNC/Fe–NC delivers peak power densities of 306 mW cm−2 in zinc-air battery and 732 mW cm−2 in proton exchange membrane fuel cells, with remarkable long-term stability. This work establishes TiNC/Fe–NC as a high-performance, durable catalyst for advanced energy storage and conversion technologies.
KW - Heterostructured catalysts
KW - Oxygen reduction reaction
KW - Proton exchange membrane fuel cell
KW - Radical scavenger
KW - Single atom catalysts
KW - Zinc-air battery
UR - https://www.scopus.com/pages/publications/105019266443
U2 - 10.1016/j.jechem.2025.09.057
DO - 10.1016/j.jechem.2025.09.057
M3 - Article
AN - SCOPUS:105019266443
SN - 2095-4956
VL - 113
SP - 579
EP - 588
JO - Journal of Energy Chemistry
JF - Journal of Energy Chemistry
ER -