Electron configuration: [He]2s22p4Oxidation state: -2,-1Crystal structure: monoclinic Oxygen, the "elixir of life", was discovered by Joseph Priestly and Carl Wilhem Scheele independently of each other in the 1770’s. Oxygen is critical for life on Earth, produced by plants during ...
The OER is a balancing anodic half reaction for electrochemical H2O splitting; with its counter half cell HER reaction. The OER is a complex one reaction consists of a four proton and electron transfers per oxygen molecule, and as a result it causes a majority of incompetence in electrolyzer ...
Oxygen reduction reaction (ORR) activity can be effectively tuned by modulating the electron configuration and optimizing the chemical bonds. Herein, a general strategy to optimize the activity of metal single‐atoms is achieved by the decoration of metal clusters via a coating–pyrolysis–etching ...
Once surface sites of interest have been identified, a thermodynamic analysis of the full catalytic reaction cycle at such sites can be performed, leading to an OER volcano plot of the prospective active sites. This requires calculation of the binding energy of every intermediate along the reaction...
Full size image Full size image Conclusion In summary, we demonstrated a method to synthesize the covalent C60-CNT hybrid as a novel electrocatalyst for H2O2production. The C60-CNT hybrid exhibited high content of large surface area, intermolecular electron transitions, fast mass transport, and defec...
The 3d-electron configuration of Co(III) was modeled with Intermediate Spin (IS) state \(\left( {t_{2g}^5e_g^1} \right)\). Using GGA+U, the intermediate spin state in LSC was found to be the most stable and to yield the most accurate oxygen vacancy formation energies50 among the...
Full size image The OER that involves the transfer of four electrons and the formation of multiple intermediates is challenging. Electrocatalysts play a key role by facilitating the required electron transfer, as well as the formation and rupture of chemical bonds [14,23]. Nowadays, the state-of...
The outer electron configuration of Fe is arranged as 3d64s2 so that it has + 3, + 2, and zero valence. Because of the different oxidizing abilities displayed during the transition between different valence states of iron oxide and the excellent water or CO2 dissociation ability ...
The spectroscopic constants extracted from the computed PECs obtained by the SS-MRPT(MP) method are calibrated with respect to the corresponding value of the full configuration interaction (FCI) and experimental data for the corresponding states. We have also computed vertical excitation (or transition...
(oxy)hydroxide implied a stronger pH-dependent OER activity, which might be due to the higher degree of decoupled proton-electron transfer during the PDS step, i.e., the deprotonation of *OOH. (Supplementary note3, Supplementary Fig.22-23)8,9,38. To further prove the impact of proton ...