Results 141 to 150 of about 1,676,724 (246)
Advanced Science, EarlyView.Fe3S4 crystal with the exposed [001] facet exhibits higher catalytic activity for activating peroxydisulfate (PDS) to degrade clothianidin (CLO), which can be attributed to the dissolved Fe‐induced homogeneous catalytic process; while Fe3S4 crystal with the exposed [1‐21] facet exhibits excellent catalytic stability and durability, thereby boosting the
Jiaqu Tan +6 more
wiley +1 more source
Isomeric Ag14 Nanoclusters With Distinct Photophysical and Nanomechanical Properties
Advanced Science, EarlyView.Ligand‐shell isomerism in atomically precise Ag14 nanoclusters is demonstrated to regulate core distortion, photoluminescence, and mechanical properties. Subtle changes in phosphine ligand arrangement drive a pronounced emission shift from green to red and alter crystal rigidity, revealing a direct structure‐property correlation that offers new design ...
Vivek Yadav +14 more
wiley +1 more source
Sequential Ag doping of Au25 - atomically precise nanoclusters induces alternating positive and negative shifts of the HOMO-LUMO gap. [PDF]
Chem SciFagan JW +5 more
europepmc +1 more source
Black Hole Quencher‐Enhanced Plasmonic Photothermal Conversion
Advanced Science, EarlyView.Researchers have developed a universal method to boost plasmonic photothermal conversion by attaching black hole quencher (BHQ) molecules to matched metal nanostructures. This hybrid approach increases efficiency by roughly threefold, reaching up to 69.1% in the near‐infrared‐II window.
Ruiyuan Zhang +3 more
wiley +1 more source
Computational Study of C2-C10 Carbon Cluster Stability via HOMO-LUMO Gaps Analysis
The exploration of linear and cyclic carbon clusters has been a topic of widespread interest in recent years, particularly in materials discovery and nanotechnology.
James, Anna +2 more
core +2 more sources
The energies of the Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) are important determinants of molecular reactivity and stability.
Kim, Mi-hyun, Mahmoudi, Omid
core +1 more source
Advanced Science, EarlyView.A bio‐inspired side‐chain branching strategy is developed to orchestrate a dual noncovalent conformational locking (NoCL) network, enabling the construction of perfectly planar NIR‐II phototheranostic aggregates. Such structural precision maximizes light‐harvesting efficiency and optimizes exciton dynamics, ensuring synchronized enhancements in NIR‐II ...
Cheng Lu +11 more
wiley +1 more source
Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction
Advanced Science, EarlyView.Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen +5 more
wiley +1 more source
Effect of Molecular Structure on the B3LYP-Computed HOMO-LUMO Gap: A Structure -Property Relationship Using Atomic Signatures. [PDF]
ACS OmegaMohamed A +3 more
europepmc +1 more source
Advanced Science, EarlyView.A covalently integrated single‐component photocatalyst is constructed by anchoring selenoviologen to platinum nanoparticles via robust N‐heterocyclic carbene ligands. The resulting Pt─C covalent bonds function dually as protective structural scaffolds and direct channels for ultrafast intramolecular electron transfer This precise interfacial ...
Wenxi He +8 more
wiley +1 more source