Results 41 to 50 of about 43,860 (248)

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Engineering BN‐Doped Open‐Shell Polycyclic Hydrocarbons for Enhanced Photothermal Conversion and Therapy

Angewandte Chemie, EarlyView.
Two novel bonded BN‐doped polycyclic hydrocarbons BN‐Dira and BN‐Tetra with open‐shell character were rationally designed and synthesized. Their molecular structures were unambiguously confirmed by crystallographic analysis. Facilitated by their intense absorption in the NIR region, high PCE (83.6%) and good photothermal stability, BN‐Dira and BN‐Tetra
Peiyun Zeng, Ziqi Zhuang, Huan Luo, Yubin Fu, Peiyu Wang, Yating Zheng, Gang Liu, Junzhi Liu   +7 more
wiley   +2 more sources

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

A Blue Emissive Heavy Atom‐Free Multiresonant Thermally Activated Delayed Fluorescent Emitter Shows Ultra‐Fast Reverse Intersystem Crossing

Angewandte Chemie, EarlyView.
The extended π‐system and low‐lying n‐π∗ transition endow DDOBDiKTa with a synergistic combination of strong spin‐orbit coupling, small reorganization energy and small ΔEST, enabling this blue boron‐nitrogen‐carbonyl hybrid emitter to achieve a fast kRISC of 6.34 × 106 s−1 together with OLEDs showing small efficiency roll‐off, with EQEmax/EQE10000 of ...
Wenrui Wang, Hassan Hafeez, Sen Wu, Aidan P. McKay, David B. Cordes, Ifor D. W. Samuel, Eli Zysman‐Colman   +6 more
wiley   +2 more sources

Heavy metal and polycyclic aromatic hydrocarbons in cigarettes: An analytical assessment

Population Medicine, 2020
Introduction Tobacco products contain heavy metals and polycyclic aromatic hydrocarbons (PAHs) that can be released during burning. The aim of this study was to measure the concentrations in tobacco of the heavy metals: Lead (Pb), Cadmium (Cd), Chrome ...
Azhar M. Haleem, Sahar Amin, Ula H. Mahmood   +2 more
doaj   +1 more source

Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices

Advanced Science, EarlyView.
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen, Wei Zeng, Zherui Zhao, JiYu Zhao, Ziyan Huang, Zhuo Chen, Kui Zhou, Guanglong Ding, Su‐Ting Han, Ye Zhou   +9 more
wiley   +1 more source

A Modular Standard Operating Procedure for Standardizing Lithium Metal Interfaces

Advanced Science, EarlyView.
A modular standard operating procedure (SOP) is developed to standardize lithium metal interfaces through sequential etching, brushing, and soaking. By transforming poorly controlled lithium surfaces into chemically uniform and structurally regulated interfaces, the framework improves electrochemical reproducibility, interfacial stability, and ...
Wen‐Hsin Chang, Anlin Shaju, Han‐Shiuan Lin, Sih‐Ling Hsu, Quang Huy Dinh, Che‐Ning Yeh, Elise Yu‐Tzu Li, Yu‐Sheng Su   +7 more
wiley   +1 more source

Oxygenated polycyclic aromatic hydrocarbons in the surface water environment: Occurrence, ecotoxicity, and sources

Environment International, 2022
Oxygenated polycyclic aromatic hydrocarbons (OPAHs) have been ubiquitously detected in atmospheric, soil, sediment, and water environments, some of which show higher concentrations and toxicities than the parent polycyclic aromatic hydrocarbons (PAHs ...
Meng Qiao, Weixiao Qi, Huijuan Liu, Jiuhui Qu   +3 more
doaj   +1 more source

Beyond Traditional Phenolics: Disulfide Bonds for Performance Enhancement of Aerospace Ablation‐Resistant Materials from Processing to Recycling

Advanced Science, EarlyView.
The dynamic disulfide bonds facilitated the development of high‐performance aerospace ablation‐resistant materials. At moderate temperature, the dissociation and recombination of disulfide bonds ensured excellent processability, mechanical properties, and recycling ability of phenolic resin; at high temperature, cleavage of disulfide bonds produced ...
Yu Li, Boyuan Hu, Xiaolong Xing, Huan Yang, Ziqi Zhang, Cheng Bian, Ruixue Bai, Ling Yue, Chengshuang Zhang, Xinli Jing   +9 more
wiley   +1 more source

Main Emission Sources and Health Risks of Polycyclic Aromatic Hydrocarbons and Nitro-Polycyclic Aromatic Hydrocarbons at Three Typical Sites in Hanoi

Atmosphere, 2023
Particulate matter-bound polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs (NPAHs) were first systematically studied in downtown (XT), suburban (GL) and rural (DA) sites in winter and summer in Hanoi, Vietnam, from 2019 to 2022.
Hao Zhang, Chau-Thuy Pham, Bin Chen, Xuan Zhang, Yan Wang, Pengchu Bai, Lulu Zhang, Seiya Nagao, Akira Toriba, Trung-Dung Nghiem, Ning Tang   +10 more
doaj   +1 more source