Results 71 to 80 of about 258,611 (317)
Open ChemistryBreast cancer is the biggest cause of death among women worldwide. Natural chemicals from medicinal plants offer promise for cancer therapy. This research screens 29 Dryopteris species plant-derived chemicals, mostly phloroglucinols, for breast cancer ...
Siddique Farhan +12 more
doaj +1 more source
Electronic Properties of Triangle-Shaped Graphene Nanoflakes from TAO-DFT
, 2019 Reliable prediction of the properties of nanosystems with radical nature has been tremendously challenging for common computational approaches. Aiming to overcome this, we employ thermally-assisted-occupation density functional theory (TAO-DFT) to ...
Qing Deng (32843) +1 more
core +1 more source
Advanced Functional Materials, EarlyView.Schematic illustration of ferroelectric‐intercalation‐driven transitions in magnetic configurations and magnonic topological phases, together with the symmetry relations of magnonic Berry curvature. ABSTRACT Magnons in collinear magnets with vanishing net magnetization offer unique advantages for spin transport, including ultrafast dynamics and ...
Yingxi Bai +8 more
wiley +1 more source
Cumhuriyet Science JournalChalcone derivatives are frequently utilized as a versatile scaffold in molecular design studies due to their broad-spectrum activities. Structural modification studies applied to increase their biological activities to a remarkable level reveal the ...
Sümeyya Serin
doaj +1 more source
Advanced Functional Materials, EarlyView.Oxygen‐tunnel (OT) indium tin oxide (ITO) vertical channel transistors (VCTs) enable reliable, high‐density gain‐cell memory for monolithic 3D integration. A sandwiched SiN/SiO2/SiN OT stack selectively regulates oxygen transport, suppressing parasitic electrode oxidation while stabilizing channel oxygen vacancies, thereby suppressing carrier injection
Hyeonho Gu +17 more
wiley +1 more source
DFT Studies of Rotational Conformers of 4-Azido-N-Phenylmalemide
, 2023 DFT calculations were performed to study the rotational conformers of 4-Azido-N-Phenylmalemide using B3LYP with 7 basis sets, 6-31G(d,p), 6-31+G(d,p), 6-31++G(d,p), 6-311G(d,p), 6-311+G(d,p), 6-311++G(d,p), and 6-311++G(df,pd).
Lichang, Wang, Sathya, Perera
core +1 more source
Omnipolar Magnetic Field Detection by Superlattice‐Based Hall Sensor
Advanced Functional Materials, EarlyView.Magnetic‐field‐induced electronic switching is demonstrated in unit‐cell‐engineered La0.7Sr0.3MnO3–BiFeO3 superlattices. Distinct substrate terminations modify magnetic and transport properties. Hall resistance measurements show omnipolar, hysteretic anomalous Hall switching above the Curie temperature, arising from Fe─Mn interfacial exchange, enabling
Mark Huijben +6 more
wiley +1 more source
, 2017 In recent years, the popularity of density functional theory with periodic boundary conditions (DFT) has surged for the design and optimization of functional materials.
Ye Xu (29869) +8 more
core +1 more source
X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites
Advanced Functional Materials, EarlyView.We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim +21 more
wiley +1 more source
Polymer Interface Enables Reversible Quasi‐Solid Sulfur Conversion in Sodium‐Sulfur Batteries
Advanced Functional Materials, EarlyView.The polymer interface enables a stable quasi‐solid sulfur conversion pathway in room‐temperature Na─S batteries. The coating regulates Na+ transport, stabilizes the cathode–electrolyte interphase, and accommodates mechanical stress, suppressing electrolyte decomposition and sulfur migration, thereby improving reaction uniformity, reducing polarization,
Reza Andaveh +12 more
wiley +1 more source