Results 161 to 170 of about 93,580 (281)

Beyond Descriptor‐Based AI Design: Sp2‐Hybridized Branched Side Chains Enable Pre‐Aggregation–Driven Seeding Effects in Green‐Solvent‐Processed Organic Solar Cells

Advanced Energy Materials, EarlyView.
sp2‐hybridized branched side chains are introduced as a new molecular design for NFAs, YBOV, inducing strong solution‐state pre‐aggregation. This pre‐aggregation enables universal seeding motifs, highly ordered film growth, and overcoming the intrinsic current–voltage trade‐off, achieving 19.67% efficiency via green‐solvent processing beyond descriptor‐
Seokhwan Jeong, Donghoo Won, Zhe Sun, Chihyung Lee, Jaewook Kim, Seunglok Lee, Sangjin Yang, Jieun Kim, Keonho Yoon, Dong Young Kim, Yongjoon Cho, Seung‐Jae Shin, Hee‐Seung Lee, Doo‐Hyun Ko, Changduk Yang   +14 more
wiley   +1 more source

Predicting and Rationalizing Piezoelectricity in Racemic Bioorganic Molecular Crystals

Angewandte Chemie, EarlyView.
Racemic molecular crystals, composed of equal mixtures of chiral enantiomeric components, are predicted to exhibit significant piezoelectric responses and favourable mechanical flexibility. This study identifies organic and bioorganic racemates as promising candidates for sustainable, lead‐free materials, enabling next‐generation applications in energy
Shubham Vishnoi, Sarah Guerin
wiley   +2 more sources

Capturing Carbohydrate Conformations and Hydration Interactions with a Polarizable Bond Dipole Potential. [PDF]

Molecules
Bai MY, Zheng XH, Gao SS, Jiang XN, Zhu JY, Hao Q, Gong LD, Wang L, Wang CS.   +8 more
europepmc   +1 more source

Molecular Design and Interfacial Functions of Self‐Assembled Monolayers for Perovskite and Tandem Solar Cells

Advanced Energy Materials, EarlyView.
We identify two decisive levers for SAM interfaces: molecular design (carboxylic acid‐based, phosphonic acid, other anchoring chemistries, and polymeric SAMs) and mixing routes (co‐assembly, in situ assembly, pre‐ and post‐treatment). Coordinated tuning of headgroups and assembly pathways optimises energy alignment and film formation, suppresses ...
Jiaxu Zhang, Bochun Kang, Feng Yan
wiley   +1 more source

Radical‐Based On‐Surface Transformation of Nonplanar Aromatics Into Nonbenzenoid Nanographenes

Angewandte Chemie, EarlyView.
Formation of radicals in nonplanar hydrocarbons through thermally induced dehydrogenation leads to molecular transformation via intramolecular radical‐based cyclization and dimerization, leading to formation of nonbenzenoid nanographenes. ABSTRACT On‐surface synthesis has emerged as a powerful tool for atomically precise C─C bond formation, enabling ...
Daniel Rothhardt, Ming‐Lun Pan, Michael Píro, Stefan Niklaus Heinen, Christian Wäckerlin, Hans Josef Hug, Yao‐Ting Wu, Karl‐Heinz Ernst, Miloš Baljozović   +8 more
wiley   +2 more sources

Phase Coexistence in Thermoresponsive PNIPAM Hydrogels Triggered by Mechanical Forces. [PDF]

Macromolecules
Cohen N.
europepmc   +1 more source

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

Photolyzable Polymer Brushes: Subtractive 3D Structuring of Surfaces Using Water and Light

Angewandte Chemie, EarlyView.
Facile structuring of polymer brushes is achieved by flipping the process from controlled growth to controlled brush photolysis. Using surface‐initiated radical ring‐opening polymerization of cyclic monomers with photocleavable cyclobutane rings, photodegradable targets are embedded into the polymer chains. The enabled continuous subtractive patterning
Henrik Kalmer, Federica Sbordone, Phuong T. Do, Kai Mundsinger, Hazal Kayas, Robert T. Jones, Jayanti Mendhi, Tim R. Dargaville, Damien G. Harkin, Lukas Michalek, Andrew Nelson, Hendrik Frisch   +11 more
wiley   +2 more sources

Neutron Diffraction and Spectroscopic Studies of Intramolecular Tetrel Bonds in Three Fluorinated Zinc Complexes: Significant Redshift in the sp³ C-H Stretch Confirmed by Experiments and Theory. [PDF]

J Am Chem Soc
Lu N, Gurumallappa G, Liu PY, Chan KL, Huang YC, Lin YC, Hsieh YT, Zeng PX, Gowda Y, Tsai MH, Tessema E, Chang HC, Francisco JS.   +12 more
europepmc   +1 more source

Natural Aging of Biomaterials in Ambient and Physiological Environments

Advanced NanoBiomed Research, EarlyView.
Biomaterials used in biomedical applications can change their physical properties over time, even under ambient and physiological conditions. This review highlights key studies on the natural aging of materials ranging from soft hydrogels to metals and ceramics, emphasizing how time‐dependent changes influence function and performance.
Shuyu Zhang, Anne E. Staples
wiley   +1 more source