Jeon, Hotae Kwon, Hee Jung Lee, Jaehyun Han, Sun Kyung Kim, Hyunjin Heo, Jaewon Han, Junhwi Shin, Seunghun Park, Jiheon Cho, Min Kyung Preston, Daniel J. Kim, In Soo Kim, Minho Lee, Won-Kyu 2025-03-21T08:00:20Z 2025-03-21T08:00:20Z 2025-03-19 2025-03 1936-0851 https://pubs.kist.re.kr/handle/201004/151953 This paper describes a simple design methodology to develop layered PtSe2 catalysts for hydrogen evolution reaction (HER) in water electrolysis operating under ultralow overpotentials. This approach relies on the transfer of mechanically exfoliated PtSe2 flakes to gold thin films on prestrained thermoplastic substrates. By relieving the prestrain, a tunable level of uniaxial internal compressive and tensile strain is developed in the flakes as a result of spontaneously formed surface wrinkles, giving rise to band structure modulations with overlapped values of the valence band maximum and conduction band minimum. This strain-engineered PtSe2 with an optimized level of internal tensile strain amplifies the HER performance of the PtSe2, with performance far greater than that of pure platinum due to significantly reduced charge transfer resistance. Density functional theory calculations provide fundamental insight into how strain-induced band structure engineering correlates with the promoted HER activity, especially at the atomic edge sites of the materials. English American Chemical Society Strain-Enabled Band Structure Engineering in Layered PtSe2 for Water Electrolysis under Ultralow Overpotential Article 10.1021/acsnano.4c18077 1 ACS Nano, v.19, no.9, pp.9107 - 9120 ACS Nano 19 9 9107 9120 N scie scopus 001433808400001 2-s2.0-85218854056 Chemistry, Multidisciplinary Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science Article TRANSITION MONOLAYER MULTISCALE GRAPHENE CRYSTAL MOS2 water electrolysis hydrogen evolution reaction catalytic materials transition metal chalcogenides strain engineering electrochemical processes