Results 121 to 130 of about 363,660 (280)

Core and π‐Bridge Engineering to Deconstruct Y6‐Series into Modular Non‐Fused Acceptors: DFT‐Guided Structure‐Property Map for Organic Solar Cells

Advanced Electronic Materials, EarlyView.
The rigid fused backbone of Y6‐series acceptors is deconstructed into a modular, non‐fused A‐π‐A′‐π‐A architecture. Comprehensive quantum chemical simulations reveal that strategic core and π‐bridge engineering preserves strong near‐infrared light‐harvesting and enhances intramolecular charge‐transfer character.
Qurat ul Ain, Waqas Akram, Hasan Yaqoob, Munazza Shahid, Abdul Majid, Muhammad Altaf, Christian B. Nielsen, Raja Shahid Ashraf   +7 more
wiley   +1 more source

A Fluorine‐Free, Low Ion Pair Electrolyte for Transition Metal‐Free and Halogen‐Free Sodium Batteries

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, Pengcheng Li, He Zhou, Xu Feng, Dennis Nordlund, Weibo Huang, Ge Li, Feng Lin   +7 more
wiley   +1 more source

Fast Microsecond Room‐Temperature Phosphorescence in Purely Organic Phosphors by Conformationally Directed Carbonyl Orientation

Angewandte Chemie, EarlyView.
Direction over magnitude—co‐directional twisting of two ester carbonyls (large φnet), rather than torsion magnitude alone, defines a DCO‐favored geometry associated with direct spin‐forbidden coupling and SOC‐mediated triplet intensity borrowing. Locking this motif into a cyclic phosphor preserves fast blue RTP in an amorphous PMMA film. ABSTRACT Metal‐
Jung‐Moo Heo, Jihyun Park, Yonghwan Kwon, Hochul Woo, Adam J. Matzger, Min Sang Kwon, Jinsang Kim   +6 more
wiley   +2 more sources

Nickel‐Free Perovskite Solar Cells Enabled by Self‐Assembled Monolayers: A Pathway to Efficient and Recyclable Devices

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, Roman Kučera, Sinuhé Perea‐Puente, Mykhailo Sytnyk, Andrew Hainer, Zijian Peng, Savannah Bennett, Juan S. Rocha‐Ortiz, Albert These, Hakan U Dag, Qi Fan, Anastasia Barabash, Zhenni Wu, Chaohui Li, Jens Hauch, Olga Kasian, Christoph J. Brabec, Ian Marius Peters   +17 more
wiley   +1 more source

Enhancing Reaction Kinetics and Structural Control in N‐Carboxyanhydride (NCA) Polypeptide Synthesis by Structurally Tuned Azamacrocyclic Ligands

Angewandte Chemie, EarlyView.
Azamacrocycles provide a tunable platform for rapid N‐carboxyanhydride (NCA) Ring‐Opening Polymerization (ROP). Changing the methylation pattern switches the macrocycle from an external catalyst (N14Me3) to a covalent initiator‐catalyst (IniCat, N14Me1), delivering controlled polypeptide growth under open‐vessel conditions.
Paulina Maksym, Adam Gorczynski, Robert D. Murphy, Gianluca Bartolini Torres, Roksana Wygoda, Karol Garbaczewski, Giuseppe Forte, Giuseppe Consiglio, Yixuan Chen, Sébastien Perrier, Andreas Heise   +10 more
wiley   +2 more sources

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

Rational Molecular Design to Improve Digital Polymer Readout in Aerolysin‐Based Nanopore Sequencing

Angewandte Chemie, EarlyView.
Nanopore sensing holds significant yet underexplored potential for decoding synthetic digital polymers. In this study, we synthesized an extensive library of sequence‐defined poly(phosphodiester)s and evaluated their performance in aerolysin‐based sequencing. By systematically optimizing molecular parameters, we identified an ideal combination of coded
Zhaozheng Yang, Juan Francisco Bada Juarez, Georgette Obeid, Alissa Agerova, Thomas R. Bryner, Davide Cois, Maria J. Marcaida, Chan Cao, Matteo Dal Peraro, Jean‐François Lutz   +9 more
wiley   +2 more sources

Complete Pathway Refactoring and Combinatorial Biosynthesis of Anthracyclines for Modulation of Histone Eviction and DNA Damage Bioactivities

Angewandte Chemie, EarlyView.
A synthetic biology platform was established for the complete refactoring of complex anthracycline biosynthetic pathways in Streptomyces coelicolor using standardized, chemically synthetic DNA parts. This modular construction enabled streamlined combinatorial biosynthesis, yielding novel analogs that decouple DNA damage from chromatin damage (histone ...
Rongbin Wang, Heli Tirkkonen, Sabina Y. van der Zanden, Larissa Ponomareva, Isaline Fagon, Leslie Fève, Kendall Paige, Courtney L. Brown, Nora Schwartz, Jacob Hecht, Jennifer Nguyen, Jon S. Thorson, Jacques Neefjes, S. Eric Nybo, Khaled A. Shaaban, Mikko Metsä‐Ketelä   +15 more
wiley   +1 more source

Non‐Buckling Stacks of Nanocarbon Molecules

Angewandte Chemie, EarlyView.
A nanometer‐sized nanocarbon molecule with a central octagon was synthesized by optimizing a tetrameric macrocyclization via concentration‐dependent yield analysis (CYAN). The slightly contorted molecular structure was found to be frozen in a dimeric stack in solution, whereas dissociation into monomers liberated the molecule to undergo buckling ...
Koki Ikemoto, Reijiro Yamamoto, Renki Sakai, Yuzuka Shoji, Shunji Takemura, Elisa Nobre, Toshiya M. Fukunaga, Xinyi Xiao, Hiroyuki Isobe   +8 more
wiley   +2 more sources

Substituent effects on thermochemical properties of free radicals. New substituent scales for C-centered radicals [PDF]

, 1998
In this work, we have analyzed substituent effects on ionization potentials and electron affinities of C-centered radicals in terms of operational atomic contributions.
Cherkasov A., Jonsson M.
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