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DFT study of oxygen reduction reaction activity and stability on Mn-Ni dual-atom electrocatalysts anchored at graphene edges
F Helmi, ML Hakim, A Nuruddin, N Amalia… - Applied Surface …, 2025 - Elsevier
In this study, we investigate the stability and oxygen reduction reaction (ORR) activity of dual-
atom catalyst MnNiN 6 active sites on graphene basal planes and graphitic edge sites …
atom catalyst MnNiN 6 active sites on graphene basal planes and graphitic edge sites …
Engineering 4f-2p-3d orbital hybridization on cerium-doped nickel–molybdenum phosphates for energy-saving hydrogen evolution
LL Liu, SS Ma, RP Li, WR Zhu, H Wang, PH Ren, H Xu… - Rare Metals, 2024 - Springer
Construction of elaborate configuration to enhance the intrinsic activity of NiMo-based
catalyst candidates holds promise for accelerating the hydrogen evolution reaction (HER) …
catalyst candidates holds promise for accelerating the hydrogen evolution reaction (HER) …
[HTML][HTML] Hydrogen Evolution Reaction Mechanism on Pristine and Defective Nickel Phosphate Surfaces
DP Wijayanti, MA Nuruzzahran, DA Syaifullah… - Results in Surfaces and …, 2025 - Elsevier
We have investigated the hydrogen evolution reaction (HER) mechanism on various facets
of nickel phosphate (NiPO) using density functional theory-based calculations. The results …
of nickel phosphate (NiPO) using density functional theory-based calculations. The results …
Microkinetic Modeling of CO2 Hydrogenation to Formic Acid on Transition Metal Doped Ni (111) Surface
RPP Sukanli, A Anatasya, ERS Rejeki… - Journal of Physics …, 2023 - iopscience.iop.org
The direct conversion of carbon dioxide (CO 2) into valuable chemicals plays a crucial role
in mitigating climate change and fostering a sustainable future. To facilitate this process …
in mitigating climate change and fostering a sustainable future. To facilitate this process …
Synthesis and Characterization of Copper-Based Nanoneedle Array by Template-Assisted Electrodeposition and Their Applications in Electrochemical Catalysis and …
Z Yang - 2024 - search.proquest.com
Copper (Cu) has been extensively studied as electrocatalyst and electrochemical sensors
due to its unique chemical and physical properties like the electron transfer ability, unique …
due to its unique chemical and physical properties like the electron transfer ability, unique …
Density Functional Study on Acid Stability of Mn, Ni, and Fe Dual Atom Catalyst Active Sites Embedded in Graphene
ML Hakim, AG Saputro, G Shukri - ITB Graduate School Conference, 2024 - gcs.itb.ac.id
This study investigates the stability of Mn, Ni, and Fe dual atom catalyst (DAC) embedded in
the basal plane of 2D graphene using density functional theory (DFT) calculations. Our …
the basal plane of 2D graphene using density functional theory (DFT) calculations. Our …