Results 41 to 50 of about 438,427 (238)

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

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

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

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

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

Axially Chiral Nonalternant Polycyclic Aromatic Hydrocarbon With Consecutive Pentagons Exhibiting Large Spin‐Polarized Current

Angewandte Chemie, EarlyView.
Here we report two nonalternant polycyclic aromatic hydrocarbons (PAH) (1 and 2), which contain two and four consecutive pentagons, respectively. Under acidic conditions, 1 and 2 dimerize to afford the axially chiral dimers AC1 and AC2. The central azulene moiety in both 2 and AC2 shows an unusually short transannular bond of 1.366 Å.
Chang Wang, Jiaxin Luo, Haipeng Lu, Junzhi Liu   +3 more
wiley   +2 more sources

Isolation of two Kocuria species capable of growing on various polycyclic aromatic hydrocarbons [PDF]

, 2010
Different samples collected from crude oil contaminated beach were enriched for isolation of bacterial strains capable of growing on naphthalene, phenanthrene and fluoranthene.
Ahmed, Nuzhat, Gadd, Geoffrey Michael, Ahmed, Rifat Zubair   +2 more
core  

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

Short Sb···Sb Contacts in Polymorphic Tris(p‐Tolyl)Antimony: A Hallmark of Organoantimony(III) Solid‐State Chemistry?

Angewandte Chemie, EarlyView.
Discovery of polymorphism in solid tris(p‐tolyl)antimony(III) highlighted short, direct antimony‐antimony contacts, with interatomic separation shorter than the sum of the van der Waals radii, and calculated interaction energy of ca. 26 kJ mol−1 that includes a significant dispersion component.
Imogen Suh, Michael Ferguson, Filip Topić, Fu‐Qiang Gong, Mihails Arhangelskis, Hatem M. Titi, D. Scott Bohle, Vinko Nemec, Levente Kiss, Andrew J. Morris, Cristian Silvestru, Dominik Cinčić, Tomislav Friščić   +12 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