Spin-State Papers

Cation Site Occupancy in Natural Ferroan Double Carbonates via Mössbauer and Fe K-Edge X-ray Absorption Spectroscopy - PubMed Double carbonates are minerals with a calcite-type structure with alternating cation layers composed of Ca and Mg/Fe coordinated by carbonate groups. While the perfectly ordered AB-stacked crystal is...

Cation Site Occupancy in Natural Ferroan Double Carbonates via Mossbauer and Fe K-Edge X-ray Absorption Spectroscopy

Single-Source Assisted Synthesis of Spin-Regulated Cobalt/Nickel Co-Doped Pyrite FeS2: Enhanced Spin Channels in Co-Ni-Fe Oxyhydroxides for Efficient Alkaline Oxygen Evolution Reaction - PubMed Controlling spin states in earth-abundant electrocatalysts is substantial for enhancing the oxygen evolution reaction (OER). However, managing spin in pyrite-type disulfides remains challenging. In this...

Single-Source Assisted Synthesis of Spin-Regulated Cobalt/Nickel Co-Doped Pyrite FeS(2): Enhanced Spin Channels in Co-Ni-Fe Oxyhydroxides for Efficient Alkaline Oxygen Evolution Reaction

Direct oxidative carbonylation of methane to acetic acid via high-valent iron-oxo mediated water activation - PubMed Direct conversion of CH₄ into value-added chemicals is impeded by the inert C-H bonds and inefficient C-C coupling. We report a spatially separated Rh-O-Fe active-site architecture that decouples...

Direct oxidative carbonylation of methane to acetic acid via high-valent iron-oxo mediated water activation

Spin-Regulated Fe-Cu Diatomic Catalytic Chemistry Enables Significant Minimization of Catalyst Consumption With High-Efficiency Fenton-Like Activity - PubMed The high cost and limited metal loading of single-atom catalysts hinder their broader applications in Fenton-like reaction for water treatment. Herein, we developed an Fe-Cu diatomic catalyst supported...

Spin-Regulated Fe-Cu Diatomic Catalytic Chemistry Enables Significant Minimization of Catalyst Consumption With High-Efficiency Fenton-Like Activity

Correction to "Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO3" - PubMed Correction to "Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO3"

Correction to "Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO(3)"

Two-Lever Design Rule for High-Entropy Oxide Oxygen Carriers: Minimize Spin Polarization, Maximize Fe-O-Ni Covalency - PubMed What is missing in high-entropy oxide (HEO) oxygen carrier design is an actionable rule that links composition to redox performance. We advance a two-lever principle─decrease spin polarization and increase...

Two-Lever Design Rule for High-Entropy Oxide Oxygen Carriers: Minimize Spin Polarization, Maximize Fe-O-Ni Covalency

Modulation of the Spin State of Atomic Fe-N4 Sites with Interlayer-Adjacent Ir-N4 for Superior ORR Activity - PubMed Development of efficient and durable oxygen reduction reaction (ORR) electrocatalysts is of great interest yet remains challenging. Herein, we predicted and screened a bilayer graphite carbon-supported...

Modulation of the Spin State of Atomic Fe-N(4) Sites with Interlayer-Adjacent Ir-N(4) for Superior ORR Activity

Steering C-H Activation by Spin-Polarized Single-Sites for Near-Unity Selective and Efficient Photocatalytic Methanol Coupling to Ethylene Glycol - PubMed Photocatalytic methanol coupling holds great promise for the sustainable production of value-added ethylene glycol (EG) and hydrogen yet remains challenging due to the difficulty in achieving selective...

Steering C-H Activation by Spin-Polarized Single-Sites for Near-Unity Selective and Efficient Photocatalytic Methanol Coupling to Ethylene Glycol

"Inverted" hysteresis in a bilayer Fe(II) spin crossover system - PubMed The coupling between the spin state and the complex motion of the individual alkyl chains results in a unique thermal hysteresis exhibiting an "inverted" loop. Specifically, the high-spin (HS) → low-spin...

"Inverted" hysteresis in a bilayer Fe(II) spin crossover system

Molecular and Functional Characterization of Drosophila melanogaster CYP6A2 in Response to Pesticides and Terpenoids - PubMed The genome of Drosophila melanogaster encodes a diverse array of cytochrome P450 enzymes, several of which are responsive to xenobiotic substances such as pesticides and terpenoid phytochemicals. This...

Molecular and Functional Characterization of Drosophila melanogaster CYP6A2 in Response to Pesticides and Terpenoids

Secondary-Sphere Hydrogen Bonds Regulating Spin-Redox Interplay in Hemes - PubMed Hydrogen bonding (H-bonding) plays a pivotal role in regulating the chemical and electrochemical properties of metalloproteins by influencing substrate recognition, binding orientation, and active-site...

Secondary-Sphere Hydrogen Bonds Regulating Spin-Redox Interplay in Hemes

Stimuli-Responsive Spin-State Switching in Supramolecular Helicates Bridging Solid-Solution Bistability - PubMed The design of molecular systems that exhibit bistability in both solid and solution phases remains a formidable challenge in coordination chemistry and materials science. Spin-crossover systems have been...

Stimuli-Responsive Spin-State Switching in Supramolecular Helicates Bridging Solid-Solution Bistability

Modulation of cobalt spin state to enhance enzyme-like activity of cobaltous oxide for colorimetric sensing analysis of phenolic compound - PubMed Herein, a novel porous S-CoO/C composite with spatial confinement effect is synthesized. Notably, doped sulfur can have the reaction with Co site of CoO and trigger the d-p orbital hybridization between...

Modulation of cobalt spin state to enhance enzyme-like activity of cobaltous oxide for colorimetric sensing analysis of phenolic compound

Li/Cu synergistic stabilization surface in P2-type Mn-based layered oxides: inhibiting Jahn-Teller effect via regulating spin state for stable sodium-ion batteries - PubMed Manganese-based layered oxides represent an attractive cathode option for sodium-ion batteries, owing to their low cost, environmental compatibility, and high capacity. However, structural degradation,...

Li/Cu synergistic stabilization surface in P2-type Mn-based layered oxides: inhibiting Jahn-Teller effect via regulating spin state for stable sodium-ion batteries

Influence of Er Substitution on Frustrated Magnetism, Co Oxidation State, and Spin Dynamics of Ca3Co2O6 - PubMed Frustrated quasi-one-dimensional spin-chain systems provide an ideal platform for exploring competing magnetic interactions and slow spin dynamics. In this work, we examine the influence of Er substitution...

Influence of Er Substitution on Frustrated Magnetism, Co Oxidation State, and Spin Dynamics of Ca3Co2O6

Investigating the kinetics of spin-crossover transitions using Raman spectroscopy - PubMed The room-temperature spin-crossover iron(II) complex Fe(1-bpp-COOC₂H₅)₂(BF₄)₂CH₃CN exhibits reversible switching between the low-spin...

Investigating the kinetics of spin-crossover transitions using Raman spectroscopy

Fe/57Fe-Metallacarboranes with Radiosensitizing Potential in Breast Cancer Cell Models: Comparative Study Between High- (60Co) and Low-Energy (57Co) Gamma Radiation Sources - PubMed <span><b>Background:</b> Radiosensitizers can be used to enhance tumor response and mitigate toxicity in healthy tissues during radiation therapy. This study investigates the radiosensitizing potential...

Fe/57Fe-Metallacarboranes with Radiosensitizing Potential in Breast Cancer Cell Models: Comparative Study Between High- (60Co) and Low-Energy (57Co) Gamma Radiation Sources

Synergistic Integration of Spin Crossover and Zinc Oxide in Transparent Films for Active Intelligent Packaging - PubMed The development of multifunctional smart packaging materials capable of simultaneously monitoring temperature and suppressing microbial contamination is critical for next-generation food and pharmaceutical...

Synergistic Integration of Spin Crossover and Zinc Oxide in Transparent Films for Active Intelligent Packaging

Finite-Size Thermodynamics of the Two-Dimensional Dipolar Q-Clock Model - PubMed We present a fully controlled thermodynamic study of the two-dimensional dipolar <i>Q</i>-state clock model on small square lattices with free boundaries, combining exhaustive state enumeration with noise-free...

Finite-Size Thermodynamics of the Two-Dimensional Dipolar Q-Clock Model

Unraveling the peculiar magnetic and electrical-transport properties of the structurally disordered half-Heusler alloy VCoGe - PubMed The structural, magnetic, and electrical-transport investigations of the polycrystalline half-Heusler $\mathrm{VCoGe}$ alloy are presented in this paper. In this compound, the DC magnetization behavior...

Unraveling the peculiar magnetic and electrical-transport properties of the structurally disordered half-Heusler alloy VCoGe

Multifunctional Guest-Hosting Triple-Stranded Helicates: From Anion Recognition to Quantum Information Applications - PubMed ConspectusThe growing field of coordination supramolecular chemistry constitutes a fruitful avenue for accessing a variety of multifunctional materials with a range of applications. Their versatility...

Multifunctional Guest-Hosting Triple-Stranded Helicates: From Anion Recognition to Quantum Information Applications

Locking the spin states of anionic Fe(L)2 units in coordination polymers through alkali metal ion incorporation - PubMed Discrete Fe^II spin crossover (SCO) compounds have garnered significant interest over the past few decades. However, the assembly of these units into coordination polymers <i>via</i> the incorporation...

Locking the spin states of anionic Fe(L)(2) units in coordination polymers through alkali metal ion incorporation

High-quality quantum chemical data for spin state determination in transition-metal complexes - PubMed Machine learning (ML) models have achieved remarkable success in organic chemistry, where reliable reference data, most commonly from density functional theory (DFT), enable accurate predictions. In contrast,...

High-quality quantum chemical data for spin state determination in transition-metal complexes

Homochiral toroidal spin state in Dy(III)-based single-molecule toroics - PubMed Single-molecule toroics, materials that combine spin and chirality at the molecular level, are promising candidates for applications in data storage, chiral spintronics and magnetoelectric devices. Over...

Homochiral toroidal spin state in Dy(III)-based single-molecule toroics

Strain-Induced Magnetic Ordering Unlocks Spin-Conserved Catalysis in Lithium-Oxygen Batteries - PubMed Designing advanced ferromagnetic catalysts with robust intrinsic magnetism and efficient spin polarization is critical for enabling spin-selective electron transfer between triplet O₂ and singlet...

Strain-Induced Magnetic Ordering Unlocks Spin-Conserved Catalysis in Lithium-Oxygen Batteries

Integrability and exact large deviations of the weakly asymmetric exclusion process - PubMed The weakly asymmetric exclusion process (WASEP) in one dimension is a paradigmatic system of interacting particles described by the macroscopic fluctuation theory (MFT) in the presence of driving. We...

Integrability and exact large deviations of the weakly asymmetric exclusion process

High-spin transition metal atoms drive acidic oxygen evolution reactions - PubMed Synthesizing transition metal catalysts to replace precious metal ones such as IrO₂ and RuO_2, achieving efficient acidic oxygen evolution reaction while balancing intrinsic activity,...

High-spin transition metal atoms drive acidic oxygen evolution reactions

Ni-site local magnetism regulated via intrinsic exchange in NiFeCo electrocatalysts - PubMed Water electrolysis is limited by the oxygen evolution reaction (OER). External magnetic fields can tune spin polarization but add power use and system complexity. Here, we present an external magnetic...

Ni-site local magnetism regulated via intrinsic exchange in NiFeCo electrocatalysts

Can single reference density functional theory methods describe spin state crossing for 3d transition metal carbon monoxide association? - PubMed The bonding between a transition metal (TM) and carbon monoxide is found in many chemical complexes that are important in biological and catalytic processes. Density functional theory (DFT) methods have...

Can single reference density functional theory methods describe spin state crossing for 3d transition metal carbon monoxide association?

Synthesis and microstructural properties of Pt-decorated α-Fe2O3 nanotubes for hydrogen gas sensing applications - PubMed Pt-free and Pt-decorated α-Fe₂O₃ nanotubes containing 1 and 5 mol% Pt were hydrothermally synthesized to investigate how Pt decoration influences low-temperature hydrogen sensing...

Synthesis and microstructural properties of Pt-decorated α-Fe2O3 nanotubes for hydrogen gas sensing applications