Mar 3, 2023 · Nevertheless, severe irreversible oxygen release, structure degradation, capacity and voltage attenuation hinder their commercialization due to the uncontrollable oxygen redox chemistry originated from unhybridized O 2p orbitals. Herein, a strategy to generate bulk oxygen vacancies is proposed.

May 6, 2024 · In this study, a NiCoCr-LDH/NF (nickel-cobalt-chromium layered double hydroxide/nickel foam) electrode is successfully synthesized via a simple hydrothermal method, demonstrating excellent electrocatalytic performance with a low work potential of 1.38 V at a high current density of 100 mA cm −2.

May 25, 2021 · Herein, authors demonstrated that reduced unstable O 2p holes and the short interlayer distance of layered lithium manganese oxide are favorable for excellent electrocatalytic stability and...

Aug 1, 2024 · The results of partial density of states (PDOS) and Mulliken charge population indicated that the blue shift of O 2p and Zr 4d orbit induced the electron rearrangement of atoms closed to the bonding sites, while the positive charge number of Zr atoms decreased than before.

Apr 18, 2023 · In this work, atomically dispersed Ce on CoO is successfully designed and synthesized by an effective plasma (P)-assisted strategy as a model (P-Ce SAs@CoO) to investigate the origin of OER performance in RE–TMO systems.

Mar 1, 2025 · The incorporation of Li + raises the O 2p energy level and triggers the positively shift of Mn PDOS. And the F – doping enhances the local covalency of the Mn O bond and decrease the Na + diffusion energy barrier.

Oct 1, 2022 · Based on the point symmetry, the molecular orbitals can be named as follows: four O 2p orbitals constitute σ-type bonding (a 1 and b 2) and antibonding (a 1 * and b 2 *) molecular orbitals with TM nd(e g), (n + 1)s, and (n + 1)p, while two O 2p orbitals along an A-O-A axis and two TM nd(t 2g) form π-type less-bonding (b 1) and less ...

Nov 10, 2017 · The metal-oxygen bonds in perovskites have mixed ionic-covalent character because of the energetic similarity (covalency) and spatial overlap (hybridization) of metal 3d orbitals and O 2p states, which has been shown to influence catalytic activities (19, 20, 73, 81).

Jul 28, 2024 · Further detailed analysis discovers that the alignment of the calculated O 2p band position with the OER redox potential on an absolute scale can serve as a hitherto unexplored descriptor for comprehending the activity of lattice oxygen and its bonding strength to OH *.

May 6, 2024 · O‐2p Hybridization Enhanced Transformation of Active γ‐NiOOH by Chromium Doping for Efficient Urea Oxidation Reaction Journal: Advanced Functional Materials