Efficient Charge Transport in Zero‐Dimensional Perovskite for Ultrahigh‐Sensitivity X‐Ray Detection
Advanced Functional Materials, EarlyView.A novel mono‐octahedral 0D Bi‐based Dpy3Bi2I12 perovskite strengthens the internal hydrogen bonds and forms a quasi‐2D lattice, exhibits exceptional charge transport and mobility, achieving high X‐ray sensitivity and ultralow‐dose imaging, and setting a new benchmark for 0D detector performance.
Xin Song +16 more
wiley +1 more source
Nonconventional Full-Color Luminescent Polyurethanes: Luminescence Mechanism at the Molecular Orbital Level. [PDF]
ACS Mater LettJiang N +8 more
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Temperature dependent surface relaxation for Al(110) and Mg(10-10)\n studied by orbital free ab initio molecular dynamics [PDF]
, 2006 Luis E. Gonzalez, David J. González
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s‐Orbital Mediated Metavalent Bonding Enables State‐Of‐The‐Art n‐Type AgBiSe2 Thermoelectrics
Advanced Functional Materials, EarlyView.Metavalent bonding (MVB) underpins the exceptional property portfolio of chalcogenides. Typical MVB solids are mainly found in p‐bonded systems. This work reveals that MVB can also be formed with s‐p orbital interactions upon forming a single‐electron σ‐bond, as exemplified in AgBiSe2.
Binrong Huang +13 more
wiley +1 more source
Synergistic Antifungal Properties, Chemical Composition, and Frontier Molecular Orbital Analysis of Essential Oils from Lemongrass, Kaffir Lime, Lime, Dill, and Shatavari Against Malassezia furfur. [PDF]
Int J Mol SciTadtong S +5 more
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Advanced Functional Materials, EarlyView.A series of Bi‐TMCs‐based heterostructures (CeNiC2/Ni‐x%) have been precisely constructed through a “molecular‐template”‐assisted strategy, which exhibits remarkable alkaline HOR performance derived from the strong synergy between Ni and CeNiC2 components.
Xi Yin +7 more
wiley +1 more source
Quantum chemical calculation dataset for representative protein folds by the fragment molecular orbital method. [PDF]
Sci DataTakaya D +8 more
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Advanced Functional Materials, EarlyView.Nanosecond pulse laser texturing yields superhydrophobic and superhydrophilic AA2024 surfaces. Salt‐spray tests show that periodic superhydrophobic patterns suppress pitting, whereas superhydrophilic textures enhance it, linking laser‐induced morphology, wettability, and oxide chemistry to corrosion resistance.
Lis Geraldine Zschach +8 more
wiley +1 more source
Beyond the Edge: Charge‐Transfer Excitons in Organic Donor‐Acceptor Cocrystals
Advanced Functional Materials, EarlyView.Complex excitonic landscapes in acene–perfluoroacene cocrystals are unveiled by polarization‐resolved optical spectroscopy and many‐body theory. This systematic study of a prototypical model system for weakly interacting donor–acceptor compounds challenges common views of charge‐transfer excitons, providing a refined conceptual framework for ...
Sebastian Anhäuser +6 more
wiley +1 more source