Results 161 to 170 of about 37,778 (278)

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

Deformable dielectrics. II: Voigt's intramolecular force balance in elastic dielectrics

, 1977
Od Vol. 43, issue 1 (1991) wyd.: Polish Scientific Publishers = PWN ; Od Vol. 50, issue 4 (1998) wyd.: Agencja Reklamowo-Wydawnicza A. Grzegorczyk ; Od Vol. 53, issue 4/5 (2001) wyd: PAS. IFTR ; 1-192 pages ; 24 cm ; Od Vol. 43, issue 1 (1991) wyd.: Polish Scientific Publishers = PWN ; Od Vol.
openaire   +1 more source

Donor–Acceptor Covalent Organic Framework Enables Ambipolar Charge Storage in Aluminum‐Ion Energy Storage

Advanced Energy Materials, EarlyView.
A donor–acceptor covalent organic framework is designed as an ambipolar cathode for aluminum‐ion energy storage. The crystalline, microporous architecture enables intrinsic charge transport without conductive additives. Multi‐electron redox activity at donor and acceptor sites supports high capacity, excellent stability, and efficient reversible ...
Cataldo Valentini, Verónica Montes‐García, Wojciech Kukułka, Saira Sarwar, Michał Bielejewski, Mateusz Wlazło, Rossella Greco, Viktorija Pankratova, Ignacio Pérez‐Juste, Dawid Pakulski, Paolo Samorì, Artur Ciesielski   +11 more
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Bending‐Induced Vibrational Landscape Reorganization Governs Energy Dissipation in Perylene Bisimides

Angewandte Chemie, EarlyView.
Gradually bent perylene bisimides (PBIs) isolate structural distortion as the sole variable and exhibit negligible intersystem crossing, uncovering rapid vibrational dephasing as the dominant driver of internal conversion through excited‐state vibrational landscape reorganization.
Wei Zhang, Di Zhao, Byeongjoo Kang, Hui‐Jun Zhang, Yeonju Park, Young Mee Jung, Woojae Kim, Jianbin Lin, Dongho Kim   +8 more
wiley   +2 more sources

Mechanically Activated Luminescence in Polyurethanes Incorporating Calixarene Mechanophores. [PDF]

Angew Chem Int Ed Engl
Visieri L, Casnati A, Baldini L, Berrocal JA.   +3 more
europepmc   +1 more source

Synthesis of functionalized polyolefins in a new continuous bench‐scale reactor apparatus

AIChE Journal, EarlyView.
Abstract In‐reactor functionalized polyolefins (FPOs), produced by molecular catalysts, are a new class of polymer materials with applications ranging from high performance adhesives to bitumen compatibilization. In this work, we disclose a procedure for the synthesis of FPOs in a new Continuous Bench‐scale Reactor Apparatus (COBRA).
Miloud Bouyahyi, Job Guzman, Travis Conant, Reggie Tennyson, Christoph Brose, Riccardo Conti, Peter Kolb, Andreas Müller   +7 more
wiley   +1 more source

Valency‐Controlled Multiphotochromism: Gated Switching and Photoswitchable Lewis Superacidity at Silicon

Angewandte Chemie, EarlyView.
Multiphotochromic switching is controlled by silicon valency in a diarylethene‐based molecular architecture. Lewis base coordination gates electronic communication between the photochromic units, thereby enabling selective access to distinct switching states.
Lennart Stoess, Valentin D. Hannibal, Lutz Greb   +2 more
wiley   +2 more sources

Synchronous Rotation Dynamics in a Molecular Motor. [PDF]

J Am Chem Soc
Kluifhooft R, Wilhelmsen J, Kapitzke M, Rückert AK, Kovalenko SA, Ioffe IN, Stähler J, Kathan M, Palato S.   +8 more
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