Results 41 to 50 of about 16,385 (196)

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Clustomesogen Showing Sub‐Zero Liquid Crystal Properties: Supramolecular Assembly Between Cs2[Mo6Ii8(OCOC2F5)6] and Hexaethylenoxide Containing Mesogenic Dimers

Advanced Materials, EarlyView.
Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz, Jeanne Rebours, Zoulikha Zerrouqi, Noée Dumait, Maria Amela‐Cortes, Nikolai Scheuring, Sara Simonovska, Sebastian Marino, Max Ebert, Stéphane Cordier, Sabine Laschat, Yann Molard   +11 more
wiley   +1 more source

Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors

Nature Communications, 2019
Halogen bonding can be exploited for the design of functional supramolecular materials, but heavier elements that are known to accept a halogen bond remain limited.
Katarina Lisac, Filip Topić, Mihails Arhangelskis, Sara Cepić, Patrick A. Julien, Christopher W. Nickels, Andrew J. Morris, Tomislav Friščić, Dominik Cinčić   +8 more
doaj   +1 more source

Editorial: Advanced Research in Halogen Bonding

Crystals, 2022
The Special Issue on “Advanced Research in Halogen Bonding” is a collection of 17 original articles reporting the results of theoretical and experimental studies that provide new insights into this fascinating intermolecular interaction [...]
Sergiy V. Rosokha, Atash V. Gurbanov
doaj   +1 more source

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

The role of halogen bonding in the synthesis and design of tap complexes

Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry
Halogenated 1,3,5-triazapentadiene (TAP) complexes are important coordination compounds with diverse structures and tunable electronic properties.
Namiq Shikhaliyev, Ayten Niyazova, Abel Maharramov, Agaisa Askerov, Nazrin Zeynalli, Viktor Hrustaleov, Peri Huseynova   +6 more
doaj   +1 more source

Thermodynamics and Spectroscopy of Halogen- and Hydrogen-Bonded Complexes of Haloforms with Aromatic and Aliphatic Amines

Molecules, 2022
Similarities and differences of halogen and hydrogen bonding were explored via UV–Vis and 1H NMR measurements, X-ray crystallography and computational analysis of the associations of CHX3 (X=I, Br, Cl) with aromatic (tetramethyl-p-phenylenediamine) and ...
Emmanuel Adeniyi, Olivia Grounds, Zachary Stephens, Matthias Zeller, Sergiy V. Rosokha   +4 more
doaj   +1 more source

Can Elastomers Combine Stiffness, Toughness and Fatigue Resistance?

Advanced Materials, EarlyView.
This review studies how the molecular and macroscopic architecture of elastomers influence their mechanical properties including: stiffness, stretchability, toughness, fatigue resistance, and damping behavior. By linking the structure to performance, it proposes design principles for advanced elastomeric systems that combine mechanical properties ...
Eva Baur, Esther Amstad
wiley   +1 more source

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds

Molecules, 2020
A computational study of the iodide discrimination by different neutral and cationic iodotriazole halogen bonding hosts was carried out by means of Density Functional Theory.
Iñigo Iribarren, Goar Sánchez-Sanz, Cristina Trujillo   +2 more
doaj   +1 more source

Chloride Ions: Essential Agents for Achieving Spontaneous Delamination of MXene

Advanced Materials, EarlyView.
This work first identifies chloride ions as essential agents for spontaneous MXene delamination. Without Cl−, etched Ti3C2Tx remains multilayered; with Cl−, interlayer modification enables Li+ intercalation and osmotic swelling. The SPEED process couples HF‐assisted Al extraction, Cl−‐mediated interlayer expansion, and Li+‐driven swelling to produce ...
Sukhyeun Jang, Yong‐Jae Kim, Incheol Jeong, Minju Kim, Jaewoong Lee, Jihan Kim, Ki‐Min Roh, Kang Taek Lee, Seon Joon Kim, Yonghee Lee, Chi Won Ahn, Hee‐Tae Jung   +11 more
wiley   +1 more source