Results 41 to 50 of about 468,724 (277)

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

Dispersion‐Clamped Crystalline Supramolecular Columnar π‐Stacks of Adamantyl‐Substituted Pyrenes

Angewandte Chemie, EarlyView.
Can neutral hydrocarbon π‐systems be forced into perfectly aligned cofacial stacks in crystals? An adamantyl‐decorated pyrene derivative crystallizes into rare translationally zero‐offset π‐columns, producing a short π–π distance below 3.3 Å and a large color shift arising from frontier crystal orbital (FCO) formation. ABSTRACT Despite their importance
Kazutaka Shoyama
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

Diversity‐Oriented Two‐Step Annulative π‐Extension Enables Access to Structurally Complex Nanographenes

Angewandte Chemie, EarlyView.
Pd‐catalyzed C–H arylation of polycyclic aromatic hydrocarbons (PAHs) with various aryltrimethylsilanes enables the preparation of structurally complicated arylated PAHs, which can be further transformed to nanographenes in a manner of two‐step annulative π‐extension (APEX) reaction.
Honami Katsuragawa, Yoshifumi Toyama, Shota Mikawa, Kou P. Kawahara, Hideto Ito, Kenichiro Itami   +5 more
wiley   +2 more sources

Improving fine molybdenite flotation using a combination of aliphatic hydrocarbon oil and polycyclic aromatic hydrocarbon

Results in Physics, 2019
Kerosene is widely used as a collector in molybdenite flotation. However, it can only adsorb on molybdenite faces but not on molybdenite edges, which is unfavorable for the flotation of fine molybdenite particles with high edge/face ratios. In this study,
Tingshu He, Hui Li, Jianping Jin, Yongjun Peng, Yubin Wang, He Wan   +5 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

Introducing Diradicaloid Thiele's Hydrocarbon Derivatives as Ligand in Transition Metal Chemistry

Angewandte Chemie, EarlyView.
N‐doped Thiele's hydrocarbon derivative is introduced as a ligand for the synthesis of mono‐ and bimetallic rhodium complexes as well as cyclometalated iridium complexes. These compounds constitute the first metal complexes based on a Thiele's hydrocarbon (or p‐quinodimethane) derivative and, to the best of our knowledge, the first cyclometalated ...
Alok Mahata, Nicolás. I. Neuman, Biprajit Sarkar   +2 more
wiley   +2 more sources

Polycyclic aromatic hydrocarbons content of food, water and vegetables and associated cancer risk assessment in Southern Nigeria.

PLoS ONE
The polycyclic aromatic hydrocarbon content of water (four surface water, six underground water (borehole water), seven sachet water), barbecued food and their fresh equivalents (barbecued beef, fish, plantain, pork, yam, chicken, chevon, potato, corn ...
Augusta Chinyere Nsonwu-Anyanwu, Mohamed Helal, Azza Khaked, Raymond Eworo, Chinyere Adanna Opara Usoro, Amany El-Sikaily   +5 more
doaj   +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

Redshifting TADF Emission With a Bora‐Triptycene Lewis Acid

Angewandte Chemie, EarlyView.
Bathochromic emission shifting of donor–acceptor and multi‐resonant TADF emitters is achieved by adduct formation with a thia‐bora‐triptycene Lewis acid. TADF properties are retained on adduct formation whilst delivering > 100 nm redshift of the emission.
Mathew J. Cross, Emily L. Hanover, Arnaud Osi, Eli Zysman‐Colman, Michael J. Ingleson   +4 more
wiley   +2 more sources