Spin-State Papers
@spinstatepapers.bsky.social
Here you will find an automated update of papers dealing with spin-states in transition-metal complexes, taken directly from PubMed.
Account handled by @marcelswart.bsky.social
Account handled by @marcelswart.bsky.social
ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals
ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals - PubMed
Density functional theory (DFT) is a widespread and effective tool in electronic structure calculations for ground-state electron systems. Its success has prompted exploration into the use of DFT for...
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November 16, 2025 at 5:12 PM
ΔSCF Excitation Energies up a Ladder of Ground-State Density Functionals
Hangman dipyrrin complexes
Hangman dipyrrin complexes - PubMed
Metalloenzymes serve as inspiration for novel molecular catalysts and model systems. While chemists have designed complexes that mimic these biological catalysts, synthetic complexes often do not recapitulate...
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November 16, 2025 at 8:35 AM
Hangman dipyrrin complexes
Introduction of RKKY-pMTJ-Based Ultrafast Magnetic Sensor Architecture and Magnetic Multilayer Optimization
Introduction of RKKY-pMTJ-Based Ultrafast Magnetic Sensor Architecture and Magnetic Multilayer Optimization - PubMed
A state-of-the-art tunnel magnetoresistance (TMR) sensor architecture, which is based on the perpendicularly magnetized magnetic tunnel junction (pMTJ), is introduced and engineered for ultrafast, high...
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November 15, 2025 at 5:12 PM
Introduction of RKKY-pMTJ-Based Ultrafast Magnetic Sensor Architecture and Magnetic Multilayer Optimization
Structural-Phase Transformations in Stainless Steel CF8 Under Ion Implantation and Thermal Treatment
Structural-Phase Transformations in Stainless Steel CF8 Under Ion Implantation and Thermal Treatment - PubMed
The γ ⟶ α'-transformation under implantation of austenitic-ferritic steel CF8 with <sup>57</sup>Fe ions to fluences of 1 × 10<sup>16</sup>, 5 × 10<sup>16</sup> and 1 × 10<sup>17</sup> ion/cm<sup>2</sup>,...
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November 15, 2025 at 8:35 AM
Structural-Phase Transformations in Stainless Steel CF8 Under Ion Implantation and Thermal Treatment
Analytic Evaluation of Energy First Derivatives for Cholesky Decomposition-Based Relativistic Two-Component Coupled-Cluster Methods
Analytic Evaluation of Energy First Derivatives for Cholesky Decomposition-Based Relativistic Two-Component Coupled-Cluster Methods - PubMed
Analytic evaluation of first-order properties for the Cholesky decomposition (CD)-based relativistic two-component coupled-cluster singles and doubles (CCSD) and equation-of-motion CCSD (EOM-CCSD) methods...
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November 14, 2025 at 5:12 PM
Analytic Evaluation of Energy First Derivatives for Cholesky Decomposition-Based Relativistic Two-Component Coupled-Cluster Methods
Tetragonal BaCoO 3 : A Co 4+ Ferromagnetic Mott Insulator
Tetragonal BaCoO 3 : A Co 4+ Ferromagnetic Mott Insulator - PubMed
We report the stabilization of the metastable body-centered tetragonal (BCT) phase of BaCoO<sub>3</sub> (BCT-BaCoO<sub>3</sub>) under high-pressure (15 GPa) and high-temperature (1200 °C) conditions...
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November 14, 2025 at 8:35 AM
Tetragonal BaCoO 3 : A Co 4+ Ferromagnetic Mott Insulator
Direct signatures of d-level hybridization and dimerization in magnetic adatom chains on a superconductor
Direct signatures of d-level hybridization and dimerization in magnetic adatom chains on a superconductor - PubMed
Magnetic adatom chains on superconductors provide a platform to explore correlated spin states and emergent quantum phases. Using low-temperature scanning tunneling spectroscopy, we study the distance-dependent...
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November 13, 2025 at 5:12 PM
Direct signatures of d-level hybridization and dimerization in magnetic adatom chains on a superconductor
Spin-Matching Effect Triggering Enhanced Oxygen Reduction Reaction in Acidic and Alkaline Media
Spin-Matching Effect Triggering Enhanced Oxygen Reduction Reaction in Acidic and Alkaline Media - PubMed
The development of high-performance oxygen reduction reaction (ORR) electrocatalysts operable across broad pH ranges is hindered by strong adsorption of hydroxyl intermediates (*OH). This work introduces...
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November 13, 2025 at 8:35 AM
Spin-Matching Effect Triggering Enhanced Oxygen Reduction Reaction in Acidic and Alkaline Media
A 3D MOF with Cu20/Cu6 Clusters: Self-Assembly, CO2 Encapsulation, Structural Features, and Magnetic Properties
A 3D MOF with Cu20/Cu6 Clusters: Self-Assembly, CO2 Encapsulation, Structural Features, and Magnetic Properties - PubMed
Molecular design of multicopper clusters has been of increasing importance in inorganic chemistry, biomedical science, and functional materials. Herein, two new copper compounds were self-assembled from...
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November 12, 2025 at 5:12 PM
A 3D MOF with Cu20/Cu6 Clusters: Self-Assembly, CO2 Encapsulation, Structural Features, and Magnetic Properties
Spin-dominated oxygen activation and reduction mechanism on a Ru-N-C single-atom-catalyst
Spin-dominated oxygen activation and reduction mechanism on a Ru-N-C single-atom-catalyst - PubMed
M-N-C-type single atom catalysts (SACs) have exhibited promising performance in the electrocatalytic oxygen reduction reaction (ORR). The spin states of the active center were found to dominate the ORR...
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November 12, 2025 at 8:35 AM
Spin-dominated oxygen activation and reduction mechanism on a Ru-N-C single-atom-catalyst
Electronic engineering of spinels for advanced electrocatalysis
Electronic engineering of spinels for advanced electrocatalysis - PubMed
Spinels represent promising candidates for clean energy electrocatalysis due to their abundance and electronic structure adjustability. However, their intrinsic catalytic activity remains limited. This...
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November 11, 2025 at 5:12 PM
Electronic engineering of spinels for advanced electrocatalysis
T (1/2) Tuning in a Synergistic BODIPY-Tetrazole Fe(II) Spin Crossover-Photoluminescence System via Counterion Variation
T 1/2 Tuning in a Synergistic BODIPY-Tetrazole Fe(II) Spin Crossover-Photoluminescence System via Counterion Variation - PubMed
Multifunctional bistable magnetic materials, particularly spin crossover (SCO)-photoluminescence (PL) systems, are of significant interest for molecular sensor applications. However, achieving predictable...
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November 11, 2025 at 8:35 AM
T (1/2) Tuning in a Synergistic BODIPY-Tetrazole Fe(II) Spin Crossover-Photoluminescence System via Counterion Variation
Unraveling the Dynamic Low-Spin State Evolution of Single-Fe-Atom Sites for Efficient CO(2) Electroreduction
Unraveling the Dynamic Low-Spin State Evolution of Single-Fe-Atom Sites for Efficient CO2 Electroreduction - PubMed
Precisely tailoring the electronic structure of the single-atom center is significant to improve the intrinsic reactivity of single-atom catalysts and elucidate the underlying reaction mechanism, but...
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November 10, 2025 at 5:12 PM
Unraveling the Dynamic Low-Spin State Evolution of Single-Fe-Atom Sites for Efficient CO(2) Electroreduction
Longer-term skin-roasted peanut consumption improves brain vascular function and memory: A randomized, single-blind, controlled crossover trial in healthy older adults
Longer-term skin-roasted peanut consumption improves brain vascular function and memory: A randomized, single-blind, controlled crossover trial in healthy older adults - PubMed
This trial was registered at clinicaltrial.gov as NCT05724654.
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November 10, 2025 at 8:35 AM
Longer-term skin-roasted peanut consumption improves brain vascular function and memory: A randomized, single-blind, controlled crossover trial in healthy older adults
Axial Co-O-Cu Pairs Enable Superexchange Interaction for Efficient CoIV=O Formation toward Water Purification
Axial Co-O-Cu Pairs Enable Superexchange Interaction for Efficient CoIV=O Formation toward Water Purification - PubMed
Heteronuclear dual-metal site catalysts (DACs) featuring unique coordination structures enable precise manipulation of metal spin-states, offering great potential for efficient peroxymonosulfate (PMS)...
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November 9, 2025 at 5:12 PM
Axial Co-O-Cu Pairs Enable Superexchange Interaction for Efficient CoIV=O Formation toward Water Purification
Decoupling of Spin and Non-Spin Effects From Electronic Structure Modulation for Oxygen Electrocatalysis
Decoupling of Spin and Non-Spin Effects From Electronic Structure Modulation for Oxygen Electrocatalysis - PubMed
The aggravation of global warming and environmental degradation amplifies the demand for green energy technologies, where oxygen-involved reactions, including oxygen evolution reaction (OER) and oxygen...
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November 9, 2025 at 8:35 AM
Decoupling of Spin and Non-Spin Effects From Electronic Structure Modulation for Oxygen Electrocatalysis
Magnetic Field-Driven Spin State Transformation in Promoting the Catalytic Activity of Doped Single-Atom for Hydrogen Evolution Reaction
Magnetic Field-Driven Spin State Transformation in Promoting the Catalytic Activity of Doped Single-Atom for Hydrogen Evolution Reaction - PubMed
Developing efficient electrocatalysts for the hydrogen evolution reaction (HER) requires innovative strategies to modulate electronic structures and reaction kinetics. Herein, a ferromagnetic Ru<sub>SAs</sub>/Ni<sub>2</sub>P@Fe<sub>3</sub>O<sub>4</sub>...
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November 8, 2025 at 5:12 PM
Magnetic Field-Driven Spin State Transformation in Promoting the Catalytic Activity of Doped Single-Atom for Hydrogen Evolution Reaction
Manipulating Spin States by Metal Axial Coordination of Active Sites for Generating Valuable CH(4) in CO(2) Reduction
Manipulating Spin States by Metal Axial Coordination of Active Sites for Generating Valuable CH4 in CO2 Reduction - PubMed
Dual-atom catalysts (DACs) exhibit superior catalytic performance with more active sites and diverse electronic structures. However, electronic spin state as the crucial factor is rarely explicitly studied,...
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November 8, 2025 at 8:35 AM
Manipulating Spin States by Metal Axial Coordination of Active Sites for Generating Valuable CH(4) in CO(2) Reduction
Gadoquatrane in Contrast-enhanced Head-and-neck and Liver Magnetic Resonance Imaging: A Preclinical Dose-Response Study in Pigs
Gadoquatrane in Contrast-enhanced Head-and-neck and Liver Magnetic Resonance Imaging: A Preclinical Dose-Response Study in Pigs - PubMed
The study suggests that gadoquatrane, which demonstrated signal-enhancement kinetics similar to those of gadobutrol and gadoterate meglumine, might be utilized effectively at a dose below 0.05 mmol Gd/kg...
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November 7, 2025 at 5:12 PM
Gadoquatrane in Contrast-enhanced Head-and-neck and Liver Magnetic Resonance Imaging: A Preclinical Dose-Response Study in Pigs
Curvature Strain-Induced Electron Spin Leveraging in d Orbitals toward Oxygen Reduction for Zn-Air Batteries
Curvature Strain-Induced Electron Spin Leveraging in d Orbitals toward Oxygen Reduction for Zn-Air Batteries - PubMed
Iron phthalocyanine (FePc), with its well-defined FeN<sub>4</sub> active site, has attracted significant interest as a promising nonprecious catalyst in the oxygen reduction reaction (ORR). However, its...
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November 7, 2025 at 8:35 AM
Curvature Strain-Induced Electron Spin Leveraging in d Orbitals toward Oxygen Reduction for Zn-Air Batteries
Photoswitchable organic magnetic materials
Photoswitchable organic magnetic materials - PubMed
Controlling magnetism with molecular spin state using external stimuli has a wide range of applications in spintronics, information technology, data storage, and quantum computations. Due to their weak...
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November 6, 2025 at 5:12 PM
Photoswitchable organic magnetic materials
Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO(3)
Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO3 - PubMed
The high-temperature spin and electronic transitions in LaCoO<sub>3</sub> have recently been leveraged to create neuromorphic (brain-inspired) devices. While these devices have shown the potential for...
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November 6, 2025 at 8:35 AM
Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO(3)
Exploring the impact of magnetic field and nanoparticle size on the magnetic properties of Fe(II)-triazole spin-crossover nanoparticles
Exploring the impact of magnetic field and nanoparticle size on the magnetic properties of Fe(II)-triazole spin-crossover nanoparticles - PubMed
Three types of iron(II)-triazole spin-crossover nanoparticles were synthesized using a micellar exchange approach, each coated with a thin silica shell. Two were obtained under optimized conditions, yielding...
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November 5, 2025 at 8:35 AM
Exploring the impact of magnetic field and nanoparticle size on the magnetic properties of Fe(II)-triazole spin-crossover nanoparticles
A spin-state switchable MOF-based film for visual DMSO vapor sensing
A spin-state switchable MOF-based film for visual DMSO vapor sensing - PubMed
The design of new colorimetric sensors for the detection of volatile organic compounds (VOCs) is of high interest due to the health issues they can induce. In this study, we report the fabrication of...
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November 4, 2025 at 8:35 AM
A spin-state switchable MOF-based film for visual DMSO vapor sensing
Competitive Coordination Constructed Heteronuclear Pt1-Fe1 Dual Single-Atom Sites for Selective Oxidation of Allylic Alcohol
Competitive Coordination Constructed Heteronuclear Pt1-Fe1 Dual Single-Atom Sites for Selective Oxidation of Allylic Alcohol - PubMed
Dual single-atom catalysts (DSACs) have attracted considerable attention owing to their exceptional atom efficiency and synergistic catalytic effects. Nevertheless, establishing precise synthetic methodologies...
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November 3, 2025 at 5:12 PM
Competitive Coordination Constructed Heteronuclear Pt1-Fe1 Dual Single-Atom Sites for Selective Oxidation of Allylic Alcohol