Article
Chemistry, Multidisciplinary
Martin Cigl, Damian Pociecha, Rafal Jakubowski, Szymon Kapuscinski, Piotr Kaszynski
Summary: A new planar Blatter radical building block with 19 pi-delocalized electrons was developed for obtaining paramagnetic bent-core liquid crystals. The mesogens were studied in pure form and as binary mixtures using optical, thermal, powder XRD, and DFT methods. Comparisons with classical Blatter radical analogues revealed that planarization of the central angular element led to significantly higher stability of the mesophases and increased molecular organization, suitable for the formation of ordered banana and columnar mesophases with stronger pi-pi interactions. These results suggest the potential for accessing a new class of functional paramagnetic soft materials.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Materials Science, Multidisciplinary
Yong Cao, Tao Li, Shenggang Zhou, Yang Xu, Peng Wang, Junfeng Liu, Daxin Zhang, Jihao Duan
Summary: This study investigates the structure, adhesion work, interface energy, and electronic properties of the Ti/TiAl3 interface using first-principles calculations. The results reveal that the TiAl-HCP interface has the highest adhesion work and the smallest interfacial distance. The TiAl-HCP interface structure exhibits the highest interfacial energy and features negative interfacial energy. The analysis of differential charge density and density of states maps demonstrates that the TiAl-HCP interface exhibits the greatest charge transfer and strongest atomic interaction.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Geochemistry & Geophysics
C. M. O'D Alexander, M. J. Nilges, G. D. Cody, C. D. K. Herd
Summary: The insoluble organic material (IOM) in primitive chondritic meteorites is enriched in deuterium (D), possibly due to exchange with H2D+ in the solar nebula. However, our study found that radical concentrations and non-Curie law behavior in IOM do not seem to correlate with its properties, chondrite group, or parent body history. The IOM from Tagish Lake shows a unique increase in spin concentrations with thermal processing degree.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2022)
Article
Chemistry, Physical
Xinzi Tian, Jiarong Yao, Lijuan Zhang, Bin Han, Jianwei Shi, Jianwei Su, Jie Liu, Chunlei Li, Xinfeng Liu, Tianyou Zhai, Lang Jiang, Fangxu Yang, Xiaotao Zhang, Ye Zou, Rongjin Li, Wenping Hu
Summary: Proposed high-performance organic phototransistors (OPTs) based on few-layered organic single-crystalline heterojunctions overcome the efficiency issues caused by thick and polycrystalline films, achieving highly efficient photogating and electrical gating. The synergy of efficient photogating and electrical gating in OPTs with type I organic single-crystalline heterojunctions results in the highest figures of merit among those based on planar heterojunctions known so far, offering a new type of advanced materials for various applications.
Article
Chemistry, Multidisciplinary
Shun Watanabe, Ryohei Hakamatani, Keita Yaegashi, Yu Yamashita, Han Nozawa, Mari Sasaki, Shohei Kumagai, Toshihiro Okamoto, Cindy G. Tang, Lay-Lay Chua, Peter K. H. Ho, Jun Takeya
Summary: A highly periodic electrostatic potential is crucial for coherent band electron systems in van der Waals bonded organic crystals. Impurity doping faces difficulties in molecular crystals due to the destruction of ordered molecular frameworks, but a versatile strategy allows for the creation of coherent 2D electronic carriers at the surface of organic semiconductor crystals while preserving precise molecular structures. By forming redox-active molecular dopants on a molecularly flat crystalline surface through a simple solution process, efficient chemical doping and high carrier density can be achieved at room temperature, resulting in excellent carrier transport properties and piezoresistive effects similar to those in bulk crystals.
Article
Chemistry, Inorganic & Nuclear
Yongfa Xie, Teng-Fei Li, Wei Chen, Lixin Liang, Hui-Peng Lv, Qing Liu, Yin-Shan Meng, Guangjin Hou, Hu Cai
Summary: Three stable supramolecular radicals with ferroelectric phase transitions and bistability in dielectric property and second-harmonic generation effect were synthesized and characterized. The ferroelectric transition and bistable properties are generated from a net polar crystal structure and a distinctive symmetric scissoring motion of the radicals, respectively. These results pave the way for designing bistable optoelectronic radical materials with magnetic bistability in the future.
INORGANIC CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Yong Ding, Bin Ding, Hiroyuki Kanda, Onovbaramwen Jennifer Usiobo, Thibaut Gallet, Zhenhai Yang, Yan Liu, Hao Huang, Jiang Sheng, Cheng Liu, Yi Yang, Valentin Ianis Emmanuel Queloz, Xianfu Zhang, Jean-Nicolas Audinot, Alex Redinger, Wei Dang, Edoardo Mosconic, Wen Luo, Filippo De Angelis, Mingkui Wang, Patrick Doerflinger, Melina Armer, Valentin Schmid, Rui Wang, Keith G. Brooks, Jihuai Wu, Vladimir Dyakonov, Guanjun Yang, Songyuan Dai, Paul J. Dyson, Mohammad Khaja Nazeeruddin
Summary: The incorporation of electron transport layers based on single-crystalline TiO2 rhombohedral nanoparticles enables the realization of stable and efficient large-area perovskite solar cell modules. The devices achieve high efficiency and stability, making them promising for practical applications.
NATURE NANOTECHNOLOGY
(2022)
Article
Chemistry, Physical
Daniel Wechsler, Priscila Vensaus, Nataliya Tsud, Hans-Peter Steinruck, Ole Lytken, Federico J. Williams
Summary: The study investigated coverage- and temperature-dependent proton transfer and self-metalation reactions of tetraphenylporphyrin molecules containing a carboxyl functional group (MCTPP) on rutile TiO2(110) surfaces, as well as changes in molecular geometric and electronic structures. Results showed that increasing temperature led to a decrease in protonated porphyrin molecules and observed self-metalation reactions in a specific temperature range, showing coverage dependence. Metalation also shifted the surface state to lower energies and modified molecular electronic states.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Durga Prasad Karothu, Ghada Dushaq, Ejaz Ahmed, Luca Catalano, Mahmoud Rasras, Pance Naumov
Summary: The first organic semiconductor crystal with a unique combination of properties has been developed, serving as a multifunctional optoelectronic device. Flexible single crystals of 9,10-bis(phenylethynyl)anthracene (BPEA) can function as a phototransistor, photoswitch, and an optical waveguide, with significantly low optical loss in the telecommunications range.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Masato Miyazaki, Yasuhiro Sugawara, Yan Jun Li
Summary: Research has shown that the terminal hydroxyl (OHt) on the surface of titanium dioxide is in a negatively charged state, with unique characteristics different from bridging hydroxyl (OHbr), involving amphoterism and diversity of catalytic reactions of titanium dioxide.
Article
Chemistry, Physical
R. M. Dulanga S. Somaratne, James E. Whitten
Summary: The study investigates the deposition of gold and lithium on TiO2(110) and the evolution of surface electronic structure. Gold grows two dimensionally on the first monolayer, with additional gold forming islands, making the surface metallic by 1 ML. For lithium, the atoms penetrate into the bulk gradually, forming a Ti3+ 3d gap state below the Fermi level.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Shanshan Dong, Shucai Xia, Chao Wang, Jingwei Dong, Tianjun Wang, Rui Li, Zefeng Ren, Dongxu Dai, Xueming Yang, Chuanyao Zhou
Summary: This study measured the valence band structure and hole effective mass of rutile TiO2(110) using angle-resolved photoelectron spectroscopy, and analyzed the dependence of photoemission intensities on excitation light polarization by considering the parity symmetry of molecular orbitals.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Joachim Schnadt, Rosemary Jones, Giulio D'Acunto, Payam Shayesteh, Foqia Rehman
Summary: The photoactivity of rutile TiO2(110) surfaces, particularly in the production of hydrogen, is of interest. This study presents experimental evidence on the adsorption of ethanol on rutile TiO2(110) surfaces, showing both molecular and dissociative adsorption. The difference in adsorption energy is lower than theoretical estimations, and a multilayer structure is formed at room temperature with increasing ethanol pressure.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Yifu Chen, Zewei Chang, Jiaxing Zhang, Junbo Gong
Summary: Electron microdevices of self-bending coronene crystals were developed using a bottom-up approach for controlled micro-crystals with high processability and stability. These bending crystal devices showed a significant increase in conductivity, providing the first example of deformation-induced function enhancement in crystal materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Environmental Sciences
Isabela Fiori, William Santacruz, Dawany Dionisio, Artur J. Motheo
Summary: This study evaluated the use of ethanol as an alternative solvent for pollutant degradation. The results showed that ethanol-water medium and methanol-water medium had similar degradation efficiencies for tetracycline. The study also found that the solvent mixture, pH, and current density had some influence on the degradation efficiency.
Article
Chemistry, Physical
Katharina Greulich, Axel Belser, Tamara Basova, Thomas Chasse, Heiko Peisert
Summary: The interface properties and electronic structures of FePc, FePcF4, and FePcF16 were studied and compared using STM, XPS, and UPS. It was found that fluorination altered the structural ordering and total interface dipole, while the local interactions of the central iron atom with the Au(111) surface remained unchanged. The interplay of substrate-molecule and intermolecular interactions was discussed.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Tobias Junghoefer, Arrigo Calzolari, Ivan Baev, Mathias Glaser, Francesca Ciccullo, Erika Giangrisostomi, Ruslan Ovsyannikov, Fridtjof Kielgast, Matz Nissen, Julius Schwarz, Nolan M. Gallagher, Andrzej Rajca, Michael Martins, Maria Benedetta Casu
Summary: Magnetism in organic materials is intriguing and the magnetic behavior in purely organic radical thin films is different from that in single crystals. Tuning the film magnetic properties by molecular arrangement holds exciting prospects for revealing new properties and applications.
Article
Chemistry, Physical
Axel Belser, Katharina Greulich, Peter Nagel, Michael Merz, Stefan Schuppler, Thomas Chasse, Heiko Peisert
Summary: The molecular orientation and interface properties of Fe(II) hexadecafluoro-phthalocyanine (FePcF16) on Ag(111) were investigated. It was found that the electronic structure of FePcF16 is distinctly altered at the interface.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Inorganic & Nuclear
Andrea Sonstroem, Barbara Boldrini, Daniel Werner, Caecilia Maichle-Moessmer, Karsten Rebner, Maria Benedetta Casu, Reiner Anwander
Summary: Protonolysis reactions between dimethylamido titanium-(IV) catecholate and neopentanol or tris(tert-butoxy)silanol yielded catecholato-bridged dimers, while reactions with dimeric dimethylamido titanium(IV) (3,6-di-tert-butyl)catecholate produced monomeric complexes. The neopentoxide complex engaged in further reactions and was used for grafting onto mesoporous silica KIT-6. Comparisons were made with a sequential and an aqueous approach, which showed different surface species and band-gap reductions.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Dustin Quinones, Kai Braun, Steffen Ulitzsch, Tim Baeuerle, Gunter Lorenz, Andreas Kandelbauer, Alfred Meixner, Thomas Chasse
Summary: The film formation of self synthesized Polymer EPM-g-VTMDS on V2A stainless steel surfaces with adhesion promoter VTMS was studied. Polymer films were spin coated on surfaces with adsorbed VTMS thin layers to analyze the film formation at early stages. The surface topography and chemical bonding were investigated using various techniques, and the formation of polymer islands and the crosslinking and silica network in the films were observed.
Article
Chemistry, Physical
Sven Boelke, David Batchelor, Andreas Frueh, Benedikt Lassalle-Kaiser, Tina Keller, Florian Trilling, Michael Forster, Ullrich Scherf, Thomas Chasse, Heiko Peisert
Summary: The position of side chains in the studied conjugated low band gap polymers has a significant influence on the molecular orientation and interface properties, whereas the electronic structure is less affected. Annealing further affects the preferred molecular orientation, leading to a higher degree of ordering.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Ewa Malgorzata Nowik-Boltyk, Tobias Junghoefer, Mathias Glaser, Erika Giangrisostomi, Ruslan Ovsyannikov, Shuyang Zhang, Chan Shu, Andrzej Rajca, Arrigo Calzolari, M. Benedetta Casu
Summary: In this study, we investigate the degradation of radical thin films by comparing two Blatter radical derivatives. We find that the chemical and magnetic properties of the films are affected by interactions with different contaminants. Atomic H and NH2 negatively impact the magnetic properties of Blatter radicals, while molecular water specifically influences the magnetic properties of diradical thin films and contributes to their shorter lifetime in air.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Biochemistry & Molecular Biology
Sven Boelke, Tina Keller, Florian Trilling, Michael Forster, Ullrich Scherf, Thomas Chasse, Heiko Peisert
Summary: Side chains are crucial in the photo-oxidation process of low band gap (LBG) polymers. Introducing aromatic-oxy-alkyl links has been found to increase their photostability. The photostability of prototypical LBG polymers with alkyl and oxyalkyl side chains was studied using UV/vis and IR spectroscopy during irradiation with white light. The presence or absence of oxygen in the side chains and the position of the side chain at the polymer backbone significantly affected the degradation kinetics and stability.
Article
Materials Science, Multidisciplinary
Emir Poskovic, Fausto Franchini, Marta Ceroni, Claudia Innocenti, Luca Ferraris, Claudio Sangregorio, Andrea Caneschi, Marco Actis Grande
Summary: Nowadays, the circular economy is gaining attention in sectors where raw material supply is critical. Recycling of rare earth elements, particularly NdFeB magnets, is important due to cost and environmental concerns. A new mechanical method for recycling without hydrogen, high temperature, or chemical processes has been proposed and compared with a traditional method. Analysis of the obtained NdFeB powders includes magnetic properties and chemical composition, specifically oxygen content.
Article
Nanoscience & Nanotechnology
Christopher Kirsch, Tassilo Naujoks, Philipp Haizmann, Philipp Frech, Heiko Peisert, Thomas Chasse, Wolfgang Bruetting, Marcus Scheele
Summary: We synthesized a new carbazole-based zwitterionic ligand (DCzGPC) via Yamaguchi esterification, which improves the efficiency of lead halide perovskite (LHP) nanocrystals (NCs) in light-emitting diodes (LEDs). Through ligand exchange, monitored by nuclear magnetic resonance (NMR), ultraviolet-visible (UV-vis), and photoluminescence (PL) spectroscopy, the LHP NCs become more stable and efficient. The stability improvement is demonstrated in solution and solid-state LEDs where the NCs show prolonged luminescence lifetimes and improved luminance. These findings provide a promising strategy for enhancing the stability of LHP NCs and tuning their optoelectronic properties for further applications in LEDs or solar cells.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Physics, Condensed Matter
Thomas Bone, Andreas Windischbacher, Lukas Scheucher, Francesco Presel, Paul Schnabl, Marie S. Wagner, Holger F. Bettinger, Heiko Peisert, Thomas Chasse, Peter Puschnig, Michael G. Ramsey, Martin Sterrer, Georg Koller
Summary: The adsorption of heptacene on Cu(110) and Cu(110)-(2 x 1)-O was studied to investigate the influence of surface passivation on the molecular geometry and electronic states. It was found that charge transfer into the molecules on the oxygen-modified Cu surface was completely suppressed, leading to uncharged and tilted molecules aligned along the Cu-O rows.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Zhimin Yang, Maren Pink, Ewa Malgorzata Nowik-Boltyk, Shutian Lu, Tobias Junghoefer, Suchada Rajca, Stefan Stoll, Maria Benedetta Casu, Andrzej Rajca
Summary: The synthesis of S = 1/2 biphenylene-fused tetrazolinyl radicals with near-perfect planar structures, outstanding thermal stability, and low oxidation potentials is reported. These radicals possess good magnetic properties and long electron spin coherence time, making them promising for potential applications in molecular spin qubits.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Biochemistry & Molecular Biology
Sven Boelke, Andreas Frueh, Florian Trilling, Michael Forster, Ullrich Scherf, Thomas Chasse, Heiko Peisert
Summary: Ladder polymers with poly(diketopyrrolopyrrole) (DPP) moieties have been widely studied for opto-electronic applications. In this research, the molecular orientation of DPP-based ladder polymers in thin films was investigated using PM-IRRAS, showing a preferential orientation of the polymer backbone parallel to the substrate surface.
Review
Chemistry, Physical
Mariya Vorobyova, Fabio Biffoli, Walter Giurlani, Stefano Mauro Martinuzzi, Maximilian Linser, Andrea Caneschi, Massimo Innocenti
Summary: Physical Vapor Deposition (PVD) is a widely used process for protective and hard coatings in various industrial applications. While previously dominated by electroplating processes, PVD has recently emerged in fields like fashion. The future aims to replace hazardous electrochemical processes restricted by the European Union with PVD coatings. Currently, a combination of both techniques is employed for new aesthetic features, making PVD of primary interest in the decorative field and fashion industry.
Article
Engineering, Electrical & Electronic
Axel Belser, Katharina Greulich, Maren Klein, Peter Grueninger, Marie Sophie Saettele, Michael Fingerle, Holger F. Bettinger, Thomas Chasse, Heiko Peisert
Summary: Substituting C-C units with isoelectronic and isosteric BN units is a straightforward way to tune the electronic properties of BN-substituted nanographene molecules. The interface properties of BN-doped molecules depend on the reactivity of the metal substrate and the structure of the molecule. The stability of the inner ring is crucial for successful preparation of large-area BN-doped graphene layers.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
