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  1. However, tuning MXenes towards superb hydrogen/oxygen evolution reaction (HER/OER) activity has remained elusive. Using first-principles calculations along with machine learning (ML) based descriptors, it is shown that late transition metal doping is able to significantly promote HER/OER activities.

  2. 7 Νοε 2021 · Using first-principles calculations along with machine learning (ML) based descriptors, it is shown that late transition metal doping is able to significantly promote HER/OER activities.

  3. 1 Ιαν 2023 · This review provides insights into the process of designing and manufacturing innovative metal and non-metal-doped transition metal electrocatalysts used in practical water splitting process with high performance and low cost.

  4. 10 Νοε 2022 · A novel computational screening study of single transition metal (TM), TM-doped, and dual TMs-doped on CdS (110) surfaces via DFT calculations is presented, focusing on their stability and...

  5. 18 Φεβ 2019 · Here, we report a general strategy to create transition metal-doped ultrathin RuO 2 nanowires (M-doped RuO 2 NWs, M = Fe/Co/Ni) featuring a networked structure, a high density of defects and grain boundaries, as superior water splitting catalysts over a broad pH range.

  6. 1 Αυγ 2023 · A facile synthesis of late transition metal-doped W 2 C is presented. • The introduction of late transition metals lowers the W 2 C d-band center. • DFT results indicate such M-W 2 C with electron redistribution and optimized ΔG H∗. • The Ni-W 2 C catalyst delivers a remarkable alkaline HER activity.

  7. Doping Ni 2 P with Co and Fe demonstrated synergistic improvement of Ni 2 P performance as an electrocatalyst in supercapcitance, hydrogen evololution and oxygen evolution reactions in alkaline medium.

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