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Published in 2024 at "Advanced Materials"
DOI: 10.1002/adma.202418321
Abstract: By manipulating their asymmetric electronic spin states, the unique electronic structures and unsaturated coordination environments of single atoms can be effectively harnessed to control their magnetic properties. In this research, the first investigation is presented…
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Keywords:
single atoms;
spin states;
electronic spin;
states single ... See more keywords
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Published in 2025 at "Advanced Materials"
DOI: 10.1002/adma.202420502
Abstract: Strongly correlated magnets, exhibiting distinctive spin properties such as spin‐orbit coupling, spin polarization, and chiral spin, are regarded as the next‐generation high‐density magnetic storage materials in spintronics. Nevertheless, owing to intricate spin interactions, realizing controllable…
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Keywords:
strongly correlated;
spin states;
baromagnetic effect;
spin ... See more keywords
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Published in 2017 at "Advanced Optical Materials"
DOI: 10.1002/adom.201600926
Abstract: (1 of 5) 1600926 TADF occurs in inter-[8,9] and intramolecular material systems.[4,6,10,11] In both cases, the wavefunction overlap of the two particles forming the emissive state defines the energetic difference between the singlet and triplet…
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Keywords:
spin states;
electroluminescence;
spin;
magnetic field ... See more keywords
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Published in 2025 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.202400739
Abstract: A series of Co2+/3+ and Fe2+/3+ complexes is prepared using three variants of a hexadentate tris(imidazole)triazacyclononane ligand bearing different 4‐alkyl substituents on the imidazole rings. The steric bulk of the alkyl substituent (R = H,…
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Keywords:
spin states;
redox potentials;
tris imidazole;
steric tuning ... See more keywords
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Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.03.361
Abstract: Abstract In the present work the structural, electronic, optical and magnetic properties of pure cubic HfO2and 3d transition metal (Mn, Fe, Co, Ni) doped (Hf1-xTMxO2) alloys (x = 0.25%) have been investigated by Density Functional Theory (DFT)…
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Keywords:
states spin;
hf1 xo2;
spin states;
structure ... See more keywords
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Published in 2018 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2018.06.062
Abstract: Abstract Ruddlesden-Popper (RP) La2−xSrxCoO4 (x = 0.7, 0.9, 1.1, 1.3) were synthesized by a modified sol-gel route. The synthesized samples were characterized by XRD, FE-SEM technique, iodometric titration, FT-FIR spectroscopy and VSM analysis. The variation of Co-O…
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Keywords:
ruddlesden popper;
spin states;
la2 xsrxcoo4;
spectroscopy ... See more keywords
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Published in 2019 at "Journal of Solid State Chemistry"
DOI: 10.1016/j.jssc.2019.03.023
Abstract: Abstract The d-electron occupancy of transition metal (TM) oxides is one of the most dominant factors in the catalytic activity in the oxygen evolution reaction (OER). To investigate the spin states and the local atomic…
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Keywords:
spin states;
spectroscopy;
photoemission spectroscopy;
delafossite oxides ... See more keywords
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Published in 2017 at "Nano Energy"
DOI: 10.1016/j.nanoen.2017.05.061
Abstract: Abstract Organo-metal halide perovskites, as emerging photovoltaic materials, have demonstrated interesting spin states due to spin-orbital coupling (SOC) effects. However, replacing the Pb with the Sn can inevitably affect the SOC and consequently changes the…
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Keywords:
photovoltaic actions;
spin states;
actions based;
orbital coupling ... See more keywords
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Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.3c00275
Abstract: Quantum entanglement between the spin states of a metal center and radical ligands is suggested in an iron(II) [Fe(dipyvd)2]2+ compound (dipyvd = 1-isopropyl-3,5-dipyridil-6-oxoverdazyl). Wave function ab initio (Difference Dedicated Configuration Interaction, DDCI) inspections were carried…
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Keywords:
spin;
spin states;
tanabe sugano;
sugano diagram ... See more keywords
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Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b00512
Abstract: High-oxidation-state metal complexes with multiply bonded ligands are of great interest for both their reactivity as well as their fundamental bonding properties. This paper reports a combined spectroscopic and theoretical investigation into the effect of…
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Keywords:
imido;
state;
imido complexes;
spin states ... See more keywords
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Published in 2018 at "ACS Catalysis"
DOI: 10.1021/acscatal.8b01492
Abstract: The mechanism of the cyclopropanation of alkenes with diazocompounds catalyzed by ClFeIII–porphyrin, [ClFeII–porphyrin]−, and FeII–porphyrin has been investigated by density functional theory calculations. The obtained results indicate that the only viable catalyst is the FeII–porphyrin,…
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Keywords:
cyclopropanation;
spin states;
different oxidation;
porphyrin ... See more keywords