Browsing Faculty of Science and Technology by Journals "Applied Surface Science"
Now showing items 1-2 of 2
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Non-precious metal activated MoSi2N4 monolayers for high-performance OER and ORR electrocatalysts: A first-principles study
(Peer reviewed; Journal article, 2022)Developing high-performance electrocatalysts for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is crucial for energy conversion and storage. Recently, a new type of two-dimensional material MoSi2N4 ... -
Transition metal single-atom supported on PC3 monolayer for highly efficient hydrogen evolution reaction by combined density functional theory and machine learning study
(Peer reviewed; Journal article, 2022)It is essential to develop non-precious metal-based alternatives used in hydrogen evolution reaction (HER) due to high cost and scarcity of Pt-based catalysts. Herein, through density functional theory (DFT) calculations, ...