Overcoming the limitations of atomic-scale simulations on semiconductor catalysis with changing Fermi level and surface treatment
Abstract
Research context
OpenAlex topics: Catalytic Processes in Materials Science · Semiconductor materials and devices · Copper-based nanomaterials and applications
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Affiliations
Institute of Inorganic Chemistry, University of Cologne, Greinstr. 6, Cologne, 50939, Germany
Department of Materials Science and Engineering, Ajou University, Suwon, 16499, Republic of Korea
Department of Energy Systems Research, Ajou University, Suwon, 16499, Republic of Korea
School of Chemical, Biological and Battery Engineering, Gachon University, Seongnam-si, Gyeonggi-do 13120, Republic of Korea
AI, Information and Reasoning (AI/R) Laboratory, Korea Institute of Science and Technology (KIST), Hwrangro 14Gil 5, Seoul, Republic of Korea
Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
MO R&D Center, M.O.P Co., Ltd, Seoul, 07281, Republic of Korea
AI-Robot Department, University of Science and Technology (UST), Republic of Korea
School of Chemical Engineering, Sungkyunkwan University (SKKU), Suwon, 16419, Republic of Korea
Hydrogen Energy Technology Laboratory, Korea Institute of Energy Technology (KENTECH), Naju, 58330, Republic of Korea
Department of Chemistry, Xi'an Jiaotong-Liverpool University, Suzhou, 215123, China
Center of Material Digitalization, Korea Institute of Ceramic Engineering and Technology (KICET), Jinju, Gyeongnam, 52851, Republic of Korea
Funding
National Research Foundation of Korea · Key Laboratory in Science and Technology Development Project of Suzhou · Korea Institute of Energy Technology Evaluation and Planning · Ministry of Science and ICT, South Korea