Modulating the Spin State to Stabilize the Surface and Bulk Structure for Durable 4.6 V LiCoO2 Cathodes
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202408152
Abstract: High‐voltage LiCoO2 (LCO) attracts great interest due to its high theoretical capacity, however, the aggravated oxygen redox, Co dissolution, and lattice degradation at high voltage potentially induce the instability of crystal structural and cathode–electrolyte interphase,… read more here.
Keywords: stabilize surface; bulk structure; spin state; licoo2 ... See more keywords
Spin Engineering of Fe─N─C by Axial Ligand Modulation for Enhanced Bifunctional Oxygen Catalysis
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202409794
Abstract: Iron‐based single‐atom catalysts (Fe─N─C) exhibit excellent oxygen reduction activity but struggle with bifunctional performance due to their poor oxygen evolution activity. Although the Fe spin state is found to be closely associated with enhanced bifunctional… read more here.
Keywords: enhanced bifunctional; oxygen; ligand; spin state ... See more keywords
Local Spin‐State Tuning of Iron Single‐Atom Electrocatalyst by S‐Coordinated Doping for Kinetics‐Boosted Ammonia Synthesis
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202202240
Abstract: The electrochemical nitrogen reduction reaction (e‐NRR) is envisaged as alternative technique to the Haber–Bosch process for NH3 synthesis. However, how to develop highly active e‐NRR catalysts faces daunting challenges. Herein, a viable strategy to manipulate… read more here.
Keywords: synthesis; spin state; spin; local spin ... See more keywords
Spin State Modulation with Oxygen Vacancy Orientates C/N Intermediates for Urea Electrosynthesis of Ultrahigh Efficiency
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Materials"
DOI: 10.1002/adma.202418828
Abstract: The co‐electrolysis of CO2 and NO3− to synthesize urea has become an effective pathway to alternate the conventional Bosch‐Meiser process, while the complexity of C‐/N‐containing intermediates for C−N coupling results in the urea electrosynthesis of… read more here.
Keywords: efficiency; state modulation; spin state; urea electrosynthesis ... See more keywords
Stabilizing the High Spin Cobalt Atoms by Local Magnetic Asymmetry in p-Block Metals-Doped Spinel MnCo2O4 Catalysts for Efficient Oxygen Reduction.
Sign Up to like & getrecommendations! Published in 2025 at "Advanced materials"
DOI: 10.1002/adma.202513681
Abstract: Spinel MnCo2O4 (MCO) is often used for electrocatalytic oxygen reduction reaction (eORR), limited kinetically by the electronic spin state of surface cobalt (Co) centers. In this work, the rate‐determining step of eORR is unlocked by… read more here.
Keywords: oxygen reduction; high spin; spin; block metals ... See more keywords
Surface-Mediated Spin Locking and Thermal Unlocking in a 2D Molecular Array.
Sign Up to like & getrecommendations! Published in 2023 at "Advanced science"
DOI: 10.1002/advs.202300223
Abstract: Molecule-based functional devices may take advantage of surface-mediated spin state bistability. Whereas different spin states in conventional spin crossover complexes are only accessible at temperatures well below room temperature, and the lifetimes of the high-spin… read more here.
Keywords: mediated spin; state; surface mediated; spin state ... See more keywords
Balancing Electron Spin States of Na3.12Fe2.44(P2O7)2 Through F‐Doping Realized High Performance on Sodium Ions Storage
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202502300
Abstract: Iron‐based pyrophosphate Na3.12Fe2.44(P2O7)2 (NFPO) has attracted significant attention due to its low cost, high safety, and open large framework structure, as a promising cathode material for sodium ion batteries. However, the structural instability arising from… read more here.
Keywords: na3 12fe2; sodium; 12fe2 p2o7; spin state ... See more keywords
The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals
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DOI: 10.1002/cphc.202400707
Abstract: Abstract With a view towards the development of molecular spintronics, non‐linear optics, and qubits, a great amount of research effort aims to establish the factors which govern the spin classification of diradicals. Electron spin resonance… read more here.
Keywords: state diradicals; electronic spin; case; spin state ... See more keywords
Influence of Peripheral Substituents on Fe(II) Spin State in Complexes with Tridentate Schiff‐Base Ligands
Sign Up to like & getrecommendations! Published in 2024 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.202400414
Abstract: Six Fe(II) complexes with substituted 6‐((quinoline‐8‐ylimino)methyl)phenolates (R2qsal) were synthesized. X‐ray crystal structure determination for [Fe(R2qsal)2], where R = F (1), Cl (2), Br (3), I (4), CF3/H (5), or CN/H (6), revealed mononuclear complexes that… read more here.
Keywords: state complexes; spin state; influence peripheral; peripheral substituents ... See more keywords
Switching Spin‐States: Spin Crossover vs. Coordination‐Induced Spin‐State Switching
Sign Up to like & getrecommendations! Published in 2024 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.202400471
Abstract: Switchable molecular materials have continued to attract the interest of chemists and physicists for decades. A prominent example are spin crossover complexes, where numerous textbooks, review articles, and special issues are available. A highly interesting… read more here.
Keywords: coordination induced; state switching; induced spin; spin state ... See more keywords
Redox‐active ligands as a challenge for electronic structure methods
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27013
Abstract: To improve the catalytic activity of 3d transition metal catalysts, redox‐active ligands are a promising tool. These ligands influence the oxidation state of the metal center as well as the ground spin‐state and make the… read more here.
Keywords: state; redox active; spin state; electronic structure ... See more keywords