Articles with "orbital coupling" as a keyword



It Matters Where the Heavy Atom Is Placed: Optimizing the Spin–Orbital Coupling in Multiresonant TADF (MR‐TADF) Emitters and Its Impact on OLED Performance

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Published in 2025 at "Advanced Functional Materials"

DOI: 10.1002/adfm.202506189

Abstract: This study explores the impact of the regioisomerism of a heavy chalcogen atom on the photophysical properties of multi‐resonant thermally activated delayed fluorescence (MR‐TADF) materials. Two pairs of isomeric MR‐TADF emitters containing different benzothienocarbazole moieties,… read more here.

Keywords: tadf emitters; spin orbital; orbital coupling; heavy atom ... See more keywords

Engineering 3d–2p–4f Gradient Orbital Coupling to Enhance Electrocatalytic Oxygen Reduction

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Published in 2022 at "Advanced Materials"

DOI: 10.1002/adma.202206540

Abstract: The development of highly efficient and economical materials for the oxygen reduction reaction (ORR) plays a key role in practical energy conversion technologies. However, the intrinsic scaling relations exert thermodynamic inhibition on realizing highly active… read more here.

Keywords: oxygen reduction; engineering gradient; gradient orbital; orbital coupling ... See more keywords

Reinforce the Co-O Covalency via Ce(4f)-O(2p)-Co(3d) Gradient Orbital Coupling for High-efficiency Oxygen Evolution.

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Published in 2023 at "Advanced materials"

DOI: 10.1002/adma.202302462

Abstract: Rare-earth (RE)-based transition metal oxides (TMO) are emerging as a frontier towards oxygen evolution reaction (OER), yet the knowledge regarding their electrocatalytic mechanism and active sites is very limited. Herein, we successfully design and synthesize… read more here.

Keywords: gradient orbital; oxygen evolution; spectroscopy; coo ... See more keywords

Orbital Coupling and Spin Textures of Fe/Pd Thin Films Grown on Si Substrate with High Magnetic Fields

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Published in 2025 at "Advanced Science"

DOI: 10.1002/advs.202417810

Abstract: The crystallization and magnetic properties strongly depend on the orbital coupling and spin polarization of magnetic materials. Here, the enhancement and freeze of coupling and polarization of atomic orbitals achieved by high magnetic fields are… read more here.

Keywords: high magnetic; thin films; magnetic fields; orbital coupling ... See more keywords

Exploring spin-orbital coupling effects on photovoltaic actions in Sn and Pb based perovskite solar cells

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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… read more here.

Keywords: photovoltaic actions; spin states; actions based; orbital coupling ... See more keywords

Strong d-π Orbital Coupling of Co-C4 Atomic Sites on Graphdiyne Boosts Potassium-Sulfur Battery Electrocatalysis.

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Published in 2024 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.3c09533

Abstract: Potassium-sulfur (K-S) batteries are severely limited by the sluggish kinetics of the solid-phase conversion of K2S3/K2S2 to K2S, the rate-determining and performance-governing step, which urgently requires a cathode with facilitated sulfur accommodation and improved catalytic… read more here.

Keywords: potassium sulfur; sites graphdiyne; strong orbital; orbital coupling ... See more keywords

Selective Orbital Coupling: An Adsorption Mechanism in Single-Atom Catalysis.

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Published in 2024 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.3c13119

Abstract: Quantitative understanding of the chemisorption on single-atom catalysts (SACs) by their electronic properties is crucial for the catalyst design. However, the physical mechanism is still under debate. Here, the CO catalytic oxidation on single transition… read more here.

Keywords: selective orbital; metal; mechanism; single atom ... See more keywords

Universal relations for hybridized s - and p -wave interactions from spin-orbital coupling

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Published in 2020 at "Physical Review A"

DOI: 10.1103/physreva.102.043321

Abstract: In this work, we study the universal relations for 1D spin-orbital-coupled fermions near both $s$- and $p$-wave resonances using effective field theory. Since the spin-orbital coupling mixes different partial waves, a contact matrix is introduced… read more here.

Keywords: orbital coupling; spin orbital; relations hybridized; hybridized wave ... See more keywords

Linear and nonlinear spin-orbital coupling in golden-angle spiral quasicrystals.

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Published in 2020 at "Optics express"

DOI: 10.1364/oe.373957

Abstract: The appealing characteristics of quasi-crystalline nanostructure offer tremendous possibilities to tailor the transmission of the angular momenta. Moreover, the second harmonic generation existing in nonlinear nanostructures also exhibits remarkable potential in the fundamental and applied… read more here.

Keywords: linear nonlinear; angular momenta; momenta; orbital coupling ... See more keywords