Results 211 to 220 of about 9,273,531 (285)
In-Depth Theoretical Investigations of Borazine's Aromaticity: Tailoring Electron Delocalization through Substituent Effects. [PDF]
MoleculesTomut AC, Moraru IT, Nemes G.
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Advanced Energy Materials, EarlyView.A wide process window is essential for the commercialization of perovskite photovoltaics. Here, we demonstrate an amorphous π‐conjugated passivator having an asymmetric mono‐iodine substituent on a carbazole moiety imparts a high dipole moment, desirable molecular energy levels, and high thickness tolerance, thereby enabling a wide process window in ...
Hyun Seo Kim +17 more
wiley +1 more source
Breaking the Polarity–Coordination Coupling in Electrolyte Design for High‐Voltage Lithium Batteries
Advanced Energy Materials, EarlyView.Steric and electronic co‐regulation of 2,2,2‐trifluoro‐N, N‐dimethylethylamide (DMTFA) decouples high polarity from strong Li+ coordination, creating an anion‐mediated pseudo‐weakly solvating electrolyte. This design lowers Li+ desolvation barriers, enhances Li+ mobility, and builds B‐, F‐, and N‐rich inorganic interphases, enabling stable 3.0–4.6 V ...
Xue Li +9 more
wiley +1 more source
Advanced Energy Materials, EarlyView.Fluorine‐containing electrolytes dominate modern rechargeable batteries, yet the fundamental design principles for fluorine‐free systems remain largely unexplored. We demonstrate that fluorine‐free electrolyte chemistry can simultaneously achieve long cycle life, fast charging, and stable interphase formation in sodium‐ion batteries.
Dawei Xia +7 more
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Elucidating substituent effects in magnetic properties of redox active cobalt complexes and testing them as potential catalysts for HER. [PDF]
RSC AdvSundaresan S +3 more
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Descriptor‐Guided Computational Screening of Non‐Fullerene Acceptor Cores for Organic Solar Cells
Advanced Energy Materials, EarlyView.We screen over 4000 non‐fullerene acceptors using their ionization energy, electron affinity, quadrupole, and dipole moments to select the top‐ten candidates for a given donor polymer. The workflow recovers known high‐performance motifs and reveals how molecular components influence material properties.
Kun‐Han Lin +9 more
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Phosphinoyl-Substituted Ketenyl Anions: Synthesis and Substituent Effects on the Structural Properties. [PDF]
OrganometallicsJörges M +6 more
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Advanced Energy Materials, EarlyView.The potential–capacity profile reveals a one‐electron limitation in sidorenkite Na3−xFe(PO4)(CO3). Structural analysis shows that Fe4+ formation induces lattice strain and suppresses electronic conductivity, blocking further Na extraction. These findings establish key design rules: preserve crystallinity, avoid Jahn–Teller–active d4 configurations, and
Samuel Franz Gatti +7 more
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Advanced Energy Materials, EarlyView.Replacing toxic NiOx with phenyl‐substituted phosphonic‐acid carbazole monolayers (Ph‐5PACz) yields inverted perovskite solar cells that are efficient and recyclable. The nickel‐free interface reaches 25.3% efficiency and enables closed‐loop ITO recovery with near‐98% performance retention, while life‐cycle and techno‐economic analyses confirm lower ...
Yanxue Wang +17 more
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How small changes to methylated piperidinium cations impact the synthesis of zeolite SSZ‐39
AIChE Journal, EarlyView.Abstract Here we report a synthesis study of SSZ‐39 with four different organic structure directing agents (OSDA). The goal was to determine how subtle changes to the OSDA architecture impact crystallization kinetics, material composition, and other properties.
Onyinyechukwu Ukagha, Daniel F. Shantz
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