Han, Junhwi Nam, Myeong Kyun Shin, Seunghun Cho, Iaan Jeon, Hotae Heo, Jaewon Lee, Jaehyun Cho, Min Kyung Preston, Daniel J. Hersam, Mark C. Kim, In Soo Shong, Bonggeun Lee, Won-Kyu 2025-11-21T01:01:14Z 2025-11-21T01:01:14Z 2025-11-11 2025-11 0002-7863 https://pubs.kist.re.kr/handle/201004/153576 A design methodology is presented here for MoTex/Ni(OH)2 heterostructured catalysts that enhance the oxygen evolution reaction (OER) in water electrolysis. This approach relies on the transfer of mechanically exfoliated MoTe2 nanosheets to Au/Si substrates followed by electrochemical Te dissolution to induce defect-mediated, partial semiconducting (2H) to metallic (1T’) phase transitions. Immersing the resulting MoTex into a nickel nitrate hydrate solution results in a heterostructure consisting of 2H-MoTex/Ni(OH)2 and 1T’-MoTex/Ni(OH)2 domains, which enables high stability and improved efficiency for the OER compared to IrOx. Both machine-learning potential and density functional theory calculations searched and evaluated all atomic sites for this materials system, thus revealing the enhancement mechanisms of OER via four-electron transfer processes with lowered free energy barriers in the rate-determining steps. English American Chemical Society Efficient and Stable Electrocatalytic Oxygen Evolution from MoTex/Ni(OH)2 Heterostructures Article 10.1021/jacs.5c15520 1 Journal of the American Chemical Society, v.147, no.44, pp.41096 - 41108 Journal of the American Chemical Society 147 44 41096 41108 N scie scopus 001599163100001 Chemistry, Multidisciplinary Chemistry Article INTRINSIC ACTIVITY PHASE-TRANSITION MOS2 NANOCOMPOSITE STABILITY ELECTRODE