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  1. 1 Ιαν 2023 · Herein, we studied the novel single atom catalysts (SACs) based on late first-row transition metal doped boron phosphide (B 12 P 12) nano-cages for the electrocatalysis of the oxygen evolution reaction (OER) via density functional theory (DFT) calculations.

  2. 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.

  3. 12 Νοε 2021 · Here, the authors investigate the effect of transition metal dopants on the electrochemical, morphological, and structural properties of Ni-rich cathode active materials.

  4. 23 Απρ 2021 · This book chapter will comment on the transition metals (TM) doped nanocrystals (NCs) and how doping and concentration influence applications and biocompatibility. In the NCs doped with TM, there is a strong interaction of sp-d exchange between the NCs’ charge carriers and the unpaired electrons of the MT, generating new and exciting properties.

  5. 3 Μαρ 2016 · Research into layered transition metal dichalcogenides (TMDCs), most notably those of molybdenum and tungsten disulfides, has become extensive, involving fields as diverse as optoelectronics, spintronics, energy storage, lubrication, and catalysis.

  6. 7 Νοε 2021 · Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways. November 2021. Advanced Energy Materials...

  7. 11 Νοε 2022 · Using a small metal cluster to correct the interaction energy may seem at odds with the well-known strong variations with cluster size of the computed chemisorption energy.