Results 201 to 210 of about 1,712,161 (276)

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

Inhaler sustainability in asthma and COPD care: a systematic review. [PDF]

BMJ Open
Onasanya AA, Haider Y, Peaston G, Ignatowicz A, Turner AM.   +4 more
europepmc   +1 more source

Safety of Sodium‐Ion Batteries: Evaluation and Perspective from Component Materials to Cells, Modules, and Packs

Advanced Energy Materials, EarlyView.
This review provides a bottom‐up evaluation of sodium‐ion battery safety, linking material degradation mechanisms, cell engineering parameters, and module/pack assembly. It emphasizes that understanding intrinsic material stability and establishing coordinated engineering control across hierarchical levels are vital for preventing degradation coupling ...
Won‐Gwang Lim, Seoa Kim, Erik A. Wu, Darren H. S. Tan, Shawn Peng, Xiaolin Li   +5 more
wiley   +1 more source

Decomposition Reaction Mechanism of Ammonium Perchlorate on N-Doped Graphene Surfaces: A Density Functional Theory Study. [PDF]

Molecules
Zhao Z, Zhang C, Mu X, Li M, Ren Y, Li J, Zhao F, Ma H.   +7 more
europepmc   +1 more source

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Research on the influence of loading rate on the dynamic initiation fracture toughness of CMDB propellant. [PDF]

Sci Rep
Zheng J, Wu X, Sun Z, Guo Z, Zhang M, Chen X.   +5 more
europepmc   +1 more source

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, J. Terence Blaskovits, Wenlan Liu, Shu‐Yi Hu, Kuei‐Jhong Lin, Sandeep Sharma, Julien Gorenflot, Martin Heeney, Frédéric Laquai, Denis Andrienko   +9 more
wiley   +1 more source

A Molecular Descriptor-Based Analysis of Organic Compounds and Designing New Promising Candidates by Machine Learning. [PDF]

ACS Omega
Aljaafreh MJ, Sumrra SH, Hassan AU, Noreen S.   +3 more
europepmc   +1 more source

Decoupling Quasi‐Solid‐State Sulfur Conversion Mechanisms in Weakly Solvating and Locally High Concentration Electrolytes

Advanced Energy Materials, EarlyView.
Weakly solvating CME–TTE and localized high‐concentration G2–TTE electrolytes redirect lithium–sulfur chemistry toward quasi‐solid‐state conversion through distinct coordination environments. Molecular dynamics and multimodal electrochemical and spectroscopic measurements show that G2–TTE couples multidentate solvent coordination, anion participation ...
Boyi Pang, Huanxin Li, Liam Bird, Yiming Guo, Bochen Li, Xiaoxia Guo, Roby Soni, Yi Zeng, Paul R. Shearing, Thomas S. Miller, Rhodri Jervis, Alexander J. Kibler, James B. Robinson   +12 more
wiley   +1 more source

Facile synthesis and decomposition kinetics of novel green energetic molecular perovskite based on nitrate group DAN-4 as an alternative for ammonium nitrate oxidizer. [PDF]

Sci Rep
Yehia M, Ismael S, Naeem I, Sousa-Castillo A, Vázquez-González M, Correa-Duarte MA, Elbasuney S.   +6 more
europepmc   +1 more source