Tuning the Electronic Configuration of Oxygen Atom in Engineering Non‐Self‐Limited Nanozyme for Portable ImmunosensorELECTRON configurationMETALLIC oxidesPRECIOUS metalsATOMSMETAL compoundsNanozymes are conceived to replace natural enzymes to avoid expensive processing techniques and fragile reservation conditions....
Electronic configuration is crucial for enhancing the catalytic activities of spinels for the oxygen evolution reaction (OER). However, controlling the electronic spin state of materials is still a challenge. In this work, we synthesized Fe-doped meso-Co3O4via a nanocasting method. The merit of ...
The structure, properties, and dynamics of oxygen vacancies in amorphous SiO/sub 2/ Oxygen vacancies in SiOhave long been known to be bistable, forming a Si-Si dimer when neutral and a puckered configuration when positively charged. Here we report extensive first-principles calculations of O ...
Results of ab initio embedded-cluster calculations indicate that the doublet ground state of the V-O-R-V rung originates from a V 3d(xy)(1)-O(R)2p(y)(1)-V 3d(xy)(1) configuration. In the high temperature undistorted geometry the unpaired electron on oxygen is low-spin coupled to ...
The surface state of a given interionic bulk structure reflects the latter and appears decisive in its mutual electronic configuration for the overall electrocatalytic effect and resulting synergism in the helr. Introduction Ever since the Sabatier principle [1], [2] was stated and related to ...
This study introduces a family of multiple charge-density-wave orders in 2D III2–VI3materials, including the chiral Star-of-David configuration. The charge-density-wave transitions involve both metal-to-insulator and insulator-to-insulator transitions, providing a platform for understanding th...
(H2O) and acidic (H3O+) media (detailed mechanisms shown in Supplementary Fig.17)7, we investigated the electrocatalytic HER activity of Pt-SAs/TMDs using a typical three-electrode configuration in wide-pH-range electrolytes, including 1.0 M KOH and 0.5 M H2SO4solutions (Supplementary Fig....
Spectroscopic methods combined with density functional calculations are used to develop a detailed bonding description of the μ4-sulfide bridged tetranuclear CuZ cluster in N2O reductase. The ground state of CuZ has the 1CuII/3CuI configuration. The single electron hole dominantly resides on one Cu...
The electronic structure of (π-allyl)palladium complexes is investigated by applying the configuration analysis and the paired interaction orbital scheme. The effect of ligands upon the reactivity of carbons is examined by using the concept of the local electron-accepting ability of the reaction ...
The present report is a prospective study aimed at finding phosphorus containing compounds for astrobiology. Since PN, PC and HCP are the only species detected so far, it was deemed reasonable to enlarge the quest for phosphorus compounds to mixed carbon oxygen containing compounds [C,xH,O,P] ...