Antimicrobial Properties of Copper and d-Orbital Capture

The purpose of this note is to stimulate interest in measuring and characterizing the emitted ultraviolet frequencies in antimicrobial copper materials. Antimicrobial sanitizing materials are urgently needed to limit the spread of COVID-19 virus. In the current pandemic, ultraviolet radiation is often used for sterilization. It is shown that 3 d-orbital capture in copper can result in radiation generated by copper materials. Since ultraviolet radiation is known to be effective in antimicrobial sterilization, it is logical to assume that the radiation formed by copper occurs in the ultraviolet region. Electron transitions in 3 d-orbital capture are expected to occur in this region. A description of the 3 d-orbital capture process, and the origin of the associated frequency, is given. It is shown that for Group 1B elements the strength of electron affinity in the d-orbital capture process increases with increasing Periodic Table period number, n. This is the opposite of other electron affinity properties for atoms that decrease wth an increase in n. A brief discussion of the relationship of d-orbital capture to the chemical inertness of gold is given. The same type of d-orbital capture process that occurs in antimicrobial copper occurs in high temperature superconducting cuprates.

Oxygen vacancy promoting artificial atom(RuPd)by d-orbital coupling for efficient water dissociation

Rational design of highly active catalysts for breaking hydrogen-oxygen bonds is of great significance in energy chemical reactions involving water.Herein,an efficient strategy for the artificial atom(RuPd)established by d-orbital coupling and adjusted by oxygen vacancy(V_(O))is verified for water dissociation.As an experimental verification,the turnover frequency of RuPd-TiO_(2)-VO(RuPdTVO)catalyst in ammonia borane hydrolysis reaches up to 2750 min^(−1)(26,190 min−1 based on metal dispersion)in the absence of alkali,exceeding the highest active catalysts(Rh-based catalysts).The d-orbital coupling effect between Ru and Pd simulates the outer electronic structure of Rh.Electron transfer from V_(O) to(RuPd)constructs an electron-rich state of active sites that further enhances the ability of the artificial atom to dissociate water.This work provides an effective electronic regulation strategy from V_(O) and artificial atom constructed by d-orbital coupling effect for efficient water dissociation.

Molybdenum-induced tuning 3d-orbital electron filling degree of CoSe_(2) for alkaline hydrogen and oxygen evolution reactions

The development of high-performance non-precious metal-based robust bifunctional electrocatalyst for both hydrogen evolution reaction(HER) and oxygen evolution reactions(OER) in alkaline media is essential for the electrochemical overall water splitting technologies. Herein, we demonstrate that the HER/OER performance of Co Se_(2)can be significantly enhanced by tuning the 3d-orbital electron filling degree through Mo doping. Both density functional theory(DFT) calculations and experimental results imply that the doping of Mo with higher proportion of the unoccupied d-orbital(P_(un)) could not only serve as the active center for water adsorption to enhance the water molecule activation, but also modulate the electronic structures of Co metal center leading to the optimized adsorption strength of*H. As expected, the obtained Mo-Co Se_(2)exhibits a remarkable bifunctional performance with overpotential of only 85 m V for HER and 245 m V for OER to achieve the current density of 10 m A/cm^(2)in alkaline media.This work will provide a valuable insight to design highly efficient bifunctional electrocatalyst towards HER and OER.

The d-orbital coupling modulation of CuNi alloy for acetonitrile electrochemical reduction and in-situ hydrogenation behavior characterization

Electrochemical reduction of acetonitrile to ethylamine with a high selectivity is a novel approach to manufacture valuable primary amines which are important raw material in organic chemical industry. However, the poor ethylamine Faradic efficiency(FE_(ethylamine)) and catalyst stability at the high current density prohibit this method from being practically used. Herein, CuNi alloy ultrafine-nano-particles based on the d-orbital coupling modulation were synthesized through the electrodeposition and their catalytic performance towards acetonitrile reduction reaction(ACNRR) has been systematically studied. The highest FE_(ethylamine)(97%) is achieved with the current density of-114 mA cm^(-2). For practical application, the current density can reach-602.8 mA cm^(-2) with 82.8% FE_(ethylamine)maintained. With the appearance of other organics which co-exist with acetonitrile in the SOHIO process, CuNi can also hydrogenate acetonitrile in it with more than 80% FE_(ethylamine). Our in-situ spectroscopy analysis and DFT calculations towards the acetonitrile hydrogenation behavior reveal that the evenly dispersed Ni in Cu modulates the dband so as to endow CuNi with the better acetonitrile adsorption, milder binding energy with the reaction intermediates, smaller barrier for *CH_3CH_2NH_2 desorption and higher ability for H_2O dissociation to provide *H.

Pressure Effects on Spectra of Tunable Laser Crystal GSGG：Cr^3＋ I：Theory

A theory for shifts of energy spectra due to electron-phonon interaction (EPI) has been developed. Both the temperature-independent contributions and the temperature-dependent ones of acoustic branches and optical branches have been derived. It is found that the temperature-independent contributions are very important, especially at low temperature. The total pressure-induced shift (PS) of a level (or spectral line or band) is the algebraic sum of its PS without EPI and its PS due to EPI. By means of both the theory for shifts of energy spectra due to EPI and the theory for PS of energy spectra, the total PS of R1 line of tunable laser crystal GSGG:Cr3+ at 70 K as well as the ones of its R1 line, R2 line and U band at 300 K will be successfully calculated and explained in this series of papers.

Orbital Approach to High Temperature Superconductivity

High temperature superconductivity in cuprates is explained in terms of 3d-orbital capture in copper. In elemental Cu 3d-orbital capture abstracts an electron from the 4 s2 valence orbital, and leaves it as 4 s1. This is known since Cu occurs in Group IB of the Periodic Table. This forms an electron vacancy, or hole, in the valence shell. Therefore, the energy of 3d-orbital capture is stronger than the energy of unpairing of a paired-spin 4 s2 orbital. In cuprates 3d-orbital capture abstracts an electron from a Cu-O covalent bond, and leaves a hole in the excited state orbital. By electron-hole migration the excited state orbital leads to a coordinate covalent bond. This leads to superconductivity. The 3d-orbital process accounts for superconductivity and insulator behavior in cuprates. These results lend credence to the statement that 3d-orbital capture in copper is the cause of high temperature superconductivity.

Boosting Oxygen Evolution Reaction Performance on NiFe‑Based Catalysts Through d‑Orbital Hybridization

Anion-exchange membrane water electrolyzers(AEMWEs)for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based catalysts.By introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units,the d-orbital and electronic structures can be adjusted,which is an important strategy to achieve sufficient oxygen evolution reaction(OER)performance in AEMWEs.Herein,the ternary NiFeM(M:La,Mo)catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this work.Experimental and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen,resulting in enhanced adsorption strength of oxygen intermediates,and reduced rate-determining step energy barrier,which is responsible for the enhanced OER performance.More critically,the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm^(−2) in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.