Results 111 to 120 of about 305,085 (308)
Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study
Beilstein Journal of NanotechnologyHigh mechanical strength, excellent thermal and electrical conductivity, and tunable properties make two-dimensional (2D) materials attractive for various applications.
Kamal Kumar +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.Temperature‐resolved in situ grazing‐incidence wide‐angle X‐ray scattering reveals that oxygen vacancies actively regulate crystallization in Hf0.5Zr0.5O2 thin films. By decoupling macroscopic strain from intrinsic phase evolution, a vacancy‐lean environment significantly lowers the activation energy barrier for crystallization.
Hyun Woo Jeong +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.This perspective presents recent advances in electrocatalytic nitrate reduction, focusing on reaction mechanisms, catalyst design, and electrolyzer configurations. Key challenges in selectivity, stability, and practical wastewater treatment are highlighted, while future directions for advancing sustainable ammonia synthesis and nitrate remediation are ...
Xintong Li +9 more
wiley +1 more source
615-631The present article provides spectroscopic technique gas chromatography-mass spectrometry (GC-MS) and density functional theory (DFT) analysis to the examined molecular structure of these three compounds namely 2-Propanone, 1-hydroxy-, Isopropyl
Raaza, A +5 more
core +1 more source
Exchange‐Coupled Two‐Dimensional MOFs
Advanced Functional Materials, EarlyView.Graphene mediates ferromagnetic coupling between two‐dimensional metal‐organic frameworks and cobalt. Fe‐tetracyanobenzene develops a remanent magnetic response whose orientation follows the cobalt magnetization direction and persists up to room temperature, whereas Ni‐TCNB remains only field‐polarized.
Iulia Cojocariu +5 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Ultra‐narrow green multi‐resonance thermally activated delayed fluorescence emitters have been developed by linear π‐extension strategy using tetracyclic naphtho[2,3‐b]benzofuran unit. The resulting phosphorescence‐sensitized OLEDs achieve a maximum external quantum efficiency of 37.7% in the bottom‐emitting architecture, while the complementary top ...
Eo Jin Jeon +7 more
wiley +1 more source
Donor‐Engineered Chiral Indium–Salen Complexes for Tunable Circularly Polarized Luminescence
Advanced Functional Materials, EarlyView.Chiral indium–salen complexes bearing electronically and structurally diverse donor substituents are presented as modular main‐group luminophores exhibiting tunable blue‐to‐green circularly polarized luminescence. Donor engineering systematically controls frontier‐orbital distribution, intraligand charge transfer, and excited‐state relaxation ...
Haein Kim +14 more
wiley +1 more source
Transition metals doped ZnO nanocluster for ethylene oxide detection: A DFT study
Main Group Metal Chemistry, 2019 Density functional theory (DFT) studies at B3LYP/6-31G (d) (Becke, 3-parameter, Lee-Yang-Parr) level were performed to evaluate adsorption interactions between ethylene oxide (EO) molecule, and pristine and transition metals (TM) (i.e., Sc, Ti, V, Cr, Mn,
Afshari Tooba, Mohsennia Mohsen
doaj +1 more source
Advanced Functional Materials, EarlyView.2,2,2‐trifluoroethanamide‐mediated coordination regulation reconstructs the local Li+ environment in PVDF‐HFP polymer electrolytes by weakening residual DMF‐dominated coordination and promoting TFSI−‐involved anion‐rich solvation. This strategy facilitates Li+ migration and interfacial desolvation, promotes the formation of a thin inorganic‐rich SEI ...
Xiangsong Jiang +17 more
wiley +1 more source
Pressure‐Assisted Dimensional Transformation of 2D Hydrogenated Borophene into 0D Boron Quantum Dots
Advanced Functional Materials, EarlyView.Hydrogenated borophene (HB) is transformed into distinct boron nanostructures through a solvent‐free thermal process. Under flowing nitrogen, hydrogen escape promotes reconstruction into B2O3 nanoplatelets, whereas hydrogen‐induced pressure under sealed conditions facilitates fragmentation into boron quantum dots.
Ozden Gunes Yildiz +11 more
wiley +1 more source