Results 91 to 100 of about 100,827 (266)

Exciton Binding Energy Modulation in 2D Perovskites: A Phenomenological Keldysh Framework

open access: yesAdvanced Functional Materials, EarlyView.
The intrinsic screening effects are successfully decoupled from structural distortion by rigorously designing a series of 2D perovskites. This enabled us to demonstrate how the dielectric environment modulates the quasiparticle bandgap and exciton binding energy.
Kitae Kim   +15 more
wiley   +1 more source

Studying the phase diagram of the three-flavor Schwinger model in the presence of a chemical potential with measurement- and gate-based quantum computing

open access: yesPhysical Review D
We propose an ansatz quantum circuit for the variational quantum eigensolver (VQE), suitable for exploring the phase structure of the multiflavor Schwinger model in the presence of a chemical potential. Our ansatz is capable of incorporating relevant model symmetries via constrains on the parameters, and can be implemented on circuit-based as well as ...
Stephan Schuster   +6 more
openaire   +4 more sources

Melt Grafting of Geometry‐Tailored Voltage Stabilizers for High‐Performance Polypropylene Insulation

open access: yesAdvanced Functional Materials, EarlyView.
A scalable one‐step melt grafting strategy is developed to enhance the dielectric properties of isotactic polypropylene by covalently incorporating thermally stable aromatic voltage stabilizers. This solvent‐free approach improves volume resistivity and DC breakdown strength through deep trap formation and charge localization, offering a sustainable ...
Nazirul Mubin bin Normansah   +9 more
wiley   +1 more source

Germanane Quantum Dots Promote Metabolic Reprogramming of Immune Cells Toward Regulatory T Cells and Suppress Inflammation In Vitro and In Vivo

open access: yesAdvanced Functional Materials, EarlyView.
Metabolic changes in immune cells direct the phenotype and function of the host immune system. Smart nanomaterials must target metabolic pathways to direct immune cell fate. This study reports the fabrication and first application of germanane quantum dots (GeHQDs) to modulate inflammation in vitro and in vivo.
Abhay Srivastava   +7 more
wiley   +1 more source

Mic-hackathon 2024: hackathon on machine learning for electron and scanning probe microscopy

open access: yesMachine Learning: Science and Technology
Microscopy is one of the primary sources of information on materials structure and functionality at the nanometer and atomic scales. The data generated through microscopy is often contained in well-structured datasets, enriched with extensive metadata ...
Utkarsh Pratiush   +72 more
doaj   +1 more source

Computational chemistry studies of carbohydrates, fullerenes and other systems: molecular mechanics modeling, molecular dynamics simulations and quantum chemical calculations

open access: yes, 1993
Ce travail de thèse consiste tout d'abord en l'étude théorique par des méthodes ab initio (CASSCF, MRCI, Moeller-Plesset) ainsi que par la mécanique moléculaire et la dynamique moléculaire de radicaux aminoxyles allant du modèle le plus simple, H₂NO, à des structures plus complexes telles que des sucres marqués par un groupe aminoxyle.
openaire   +2 more sources

Pore Size Effects of Mesoporous N‐Doped Carbon Nanospheres as Advanced Support Material on the Activity of Molybdenum Sulfide Catalysts for the Hydrogen Evolution Reaction

open access: yesAdvanced Functional Materials, EarlyView.
By tuning the pore size of mesoporous N‐doped carbon (MPNC) nanospheres as support material for molybdenum sulfide, the electrochemical activity of the composite material for the hydrogen evolution reaction can be optimized. An ideal MPNC pore size of 60 nm allows a high number of molybdenum sulfide active sites while maintaining efficient proton and ...
Niklas Ortlieb   +3 more
wiley   +1 more source

Operando Temperature Sensing at the Actual Electrocatalytic Interface by Nanodiamond Quantum Sensors

open access: yesAdvanced Functional Materials, EarlyView.
By integrating a wide‐field microscope with a custom‐designed electrolyzer, nanoscale temperature changes can be recorded in situ during the electrolysis process without interfering with ongoing electrochemical reactions. This method establishes a correlation between the interface temperature and specific electrochemical reactions, making the measured ...
Zan Li   +7 more
wiley   +1 more source

Coexisting Rashba/Dresselhaus Spin Splitting in Solution‐Processed Bournonite Films Using Circular Photogalvanic Effect

open access: yesAdvanced Functional Materials, EarlyView.
Circular photogalvanic effect measurements and first‐principles calculations reveal spin‐splitting states in solution‐processed bournonite films (CuPbSbS3) due to structural and bulk inversion asymmetry. The results provide experimental confirmation of coexisting Rashba and Dresselhaus spin‐splitting states in this non‐centrosymmetric chalcogenide ...
Aeron McConnell   +5 more
wiley   +1 more source

The Effect of Purcell Cavities on the Lifetime of Thermally Activated Delayed Fluorescent Emitters

open access: yesAdvanced Functional Materials, EarlyView.
A pressing challenge to OLED displays and lighting is to balance high efficiency and long operational lifetime in the deep blue spectrum. The Purcell effect can reduce the triplet density and hence the probability for destructive energy‐driven triplet annihilation events that limit the OLED lifetime. Here we study of the Purcell effect on two different
Sritoma Paul   +4 more
wiley   +1 more source

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