Article
Chemistry, Multidisciplinary
Sheng-Yang Huang, Wei-Ning Gao, Chia-Man Chou, Vincent K. S. Hsiao
Summary: In this study, porous silicon (PSi) modified with Au/TiO2 nanocomposites (NCPs) was investigated for its potential as a substrate for photoinduced enhanced Raman spectroscopy (PIERS). The addition of TiO2 nanoparticles during pulsed laser-induced photolysis (PLIP) led to the formation of spherical Au nanoparticles on the PSi surface. Real-time monitoring of the Raman signals of rhodamine 6G (R6G) under ultraviolet (UV) irradiation showed that PSi substrates decorated with Au/TiO2 NCPs significantly enhanced the Raman signal of R6G.
Article
Materials Science, Ceramics
Ton Nu Quynh Trang, Tieu Tu Doanh, Lam Quang Vinh, Vu Thi Hanh Thu
Summary: The study presents the design and fabrication of an Ag/TiO2 NRs heterostructure for ultrasensitive SERS detection of molecules like R6G and efficient degradation of molecules, showing promising photocatalytic performance and self-cleaning effect.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Multidisciplinary
Josiah Shondo, Salih Veziroglu, Tim Tjardts, Tamim Bin Sarwar, Yogendra Kumar Mishra, Franz Faupel, Oral Cenk Aktas
Summary: A 4N-in-1 hybrid substrate concept for ultra-sensitive and reliable photo-induced-enhanced Raman spectroscopy is proposed, which shows a significant enhancement and high detection sensitivity. The substrate also exhibits superior photocatalytic degradation performance and reusability.
Article
Engineering, Marine
Nader R. Ammar, Ibrahim S. Seddiek
Summary: This study aims to determine the most effective and cost-efficient propulsion system for achieving green containerized shipping. A comparison of two mechanical propulsion systems and a hybrid system reveals that the hybrid system is the best option, with the lowest CO2 emission rate of 5.926 ton/TEU. It reduces NOx, SOx, and CO2 emissions by 52%, 63.7%, and 30.4% respectively, compared to the conventional system. From an economic perspective, the dual fuel-powered system is currently the most cost-effective choice, but the hybrid system is more advantageous for future regulations, with a levelized cost of energy and cost-effectiveness of 0.07 $/kWh and 21.9 $/ton, respectively.
Article
Biochemistry & Molecular Biology
Simona Ortelli, Maurizio Vespignani, Ilaria Zanoni, Magda Blosi, Claudia Vineis, Andreana Piancastelli, Giovanni Baldi, Valentina Dami, Stefania Albonetti, Anna Luisa Costa
Summary: In recent years, researchers have extensively studied multifunctional inorganic-organic hybrid materials to determine their potential effects on reactivity. This study designed and characterized a hybrid material by combining photocatalytic TiO2 nanoparticles with sodium surfactin (SS), a biosurfactant with high affinity for metal cations and antimicrobial properties. The synthesis methodologies and different TiO2:SS weight ratios were investigated to understand their effects on colloidal, physicochemical, and functional properties. The breaking point between TiO2 and SS single-component trends was identified and different ranges of applicability were determined. At low SS contents, the hybrid material showed preserved photocatalytic properties and additional antimicrobial effects, while at high SS contents, TiO2 photoactivity was inhibited and the hybrid material could be used as a UV blocker. Around the breaking point, the hybrid material exhibited high surface area, NOx depletion, and improved adhesion for antibacterial coatings, making it suitable for water/soil remediation applications.
Article
Thermodynamics
Giovanni Brumana, Giuseppe Franchini, Elisa Ghirardi, Antonio Perdichizzi
Summary: This paper presents a techno-economic optimization procedure for selecting the best energy mix of renewable energy sources to meet the power demands of an isolated community. The case study in Saudi Arabia demonstrates that implementing a complete renewable system can provide clean energy without a huge cost burden.
Article
Materials Science, Multidisciplinary
T. T. H. Luu, Z. Jia, A. Kanaev, L. Museur
Summary: This study investigates the UV-induced free-radical photopolymerization of photosensitive hybrids formed using pHEMA and TiO2 nanoparticles, and explores their potential as materials for micro-optical devices. The influence of nanoparticle concentration and UV intensity on the polymerization kinetics is discussed, and it is found that the presence of TiO2 nanoparticles decreases the initiation rate and reduces the C=C conversion yield. Despite this, one-dimensional photoactive microstructures can still be fabricated in pHEMA/TiO2 hybrids.
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
James Johnston, Christopher O'Rourke, Andrew Mills
Summary: The mechanisms of water and chloride oxidation by a WO3 photoanode are investigated, revealing the correlation between reaction rates and the concentration of photogenerated surface holes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Biborka Boga, Istvan Szekely, Monica Focsan, Monica Baia, Tibor Szabo, Laszlo Nagy, Zsolt Pap
Summary: In this study, vectorial electron transfer between reaction center protein (RC) and WO3(center dot 0.33H2O) was achieved through physical adsorption, with the interaction efficiency being correlated to surface charge, structural/morphological properties, and anchoring capacity of the inorganic carrier. Additionally, the role of WO3(center dot 0.33H2O) as an electron trap and charge separator was demonstrated not only in RCs/WO3(center dot 0.33H2O) biohybrid systems but also in TiO2/WO3(center dot 0.33H2O) composites.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Analytical
Chawki Awada
Summary: This study investigates the electromagnetic enhancement properties of Ag/TiO2 nanostructures towards methylene blue molecules using a combination of experimental and theoretical approaches. The results show that the local electric field affects the vibration behavior of molecular bonds, and the interparticle distance of Ag nanoparticles plays a role in the enhancement properties.
Article
Biochemical Research Methods
Stefano Fornasaro, Alessandro Esposito, Fiorella Florian, Alberto Pallavicini, Luigina De Leo, Tarcisio Not, Cristina Lagatolla, Marica Mezzarobba, Alessia Di Silvestre, Valter Sergo, Alois Bonifacio
Summary: Significant differences were found in the faecal samples of celiac patients and those on a gluten-free diet using SERS spectroscopy and 16S rRNA sequencing analysis. Although there were no significant differences in bacterial composition, the relative intensity of xanthine and hypoxanthine in the SERS spectra of patients on a gluten-free diet was significantly increased.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2022)
Article
Agriculture, Multidisciplinary
Yi Ma, Ying Chen, Yiran Tian, Chenjie Gu, Tao Jiang
Summary: A novel noble metal-polymer hybrid film was developed as a SERS substrate for food fungicide analysis, showing promising potential in the fast in situ monitoring of biochemical molecules. The hybrid film demonstrated high sensitivity and elasticity, outperforming traditional swabbing methods in detecting TBZ, carbaryl, and their mixture.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Polymer Science
Tanner L. Grover, C. Allan Guymon
Summary: Control of phase separation during radical/cationic hybrid photopolymerization allows manipulation of polymer morphology and material properties. The cationic comonomer ratio influences reaction kinetics, network morphology, and bulk material properties. The ability to control polymer structure through comonomer content enables tailoring of mechanical properties in photocured films. This study demonstrates the importance of internally regulating cationic polymerization rate for controlling polymer structure and material properties in radical/cationic photopolymer systems.
Review
Energy & Fuels
Xin Lin, Ramon Zamora
Summary: This article critically analyzes and compares the control methods of hybrid energy storage systems (HESS) in microgrids, and identifies the shortcomings of existing control methods. The control strategies can be divided into centralized, decentralized, and distributed types. The impact of time delay caused by communication systems on centralized and distributed controllers is also investigated. The article presents a novel droop coordinated control method and discusses insights on the future development trend of HESS control strategies.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Chemistry, Analytical
Wendong Zhu, Ya Cheng, Su Yan, Xiaojie Chen, Ce Wang, Xiaofeng Lu
Summary: In this study, hierarchical ternary TiO2/CuInS2/CuS nanofibers were synthesized as peroxidase mimics by a cation-exchange route. The obtained nanofibers showed excellent peroxidase-like activity and a convenient colorimetric detection platform for dopamine was developed.
MICROCHEMICAL JOURNAL
(2022)
Review
Chemistry, Multidisciplinary
Ferdinand Evers, Amnon Aharony, Nir Bar-Gill, Ora Entin-Wohlman, Per Hedegard, Oded Hod, Pavel Jelinek, Grzegorz Kamieniarz, Mikhail Lemeshko, Karen Michaeli, Vladimiro Mujica, Ron Naaman, Yossi Paltiel, Sivan Refaely-Abramson, Oren Tal, Jos Thijssen, Michael Thoss, Jan M. van Ruitenbeek, Latha Venkataraman, David H. Waldeck, Binghai Yan, Leeor Kronik
Summary: This article provides a critical overview of the theory of the chirality-induced spin selectivity (CISS) effect and reviews its applications in electron processes. It discusses the latest developments in the understanding of the CISS effects in electron transmission, electron transport, and chemical reactions, and identifies the remaining challenges and research opportunities.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Austin M. Evans, Kelsey A. Collins, Sangni Xun, Taylor G. Allen, Samik Jhulki, Ioannina Castano, Hannah L. Smith, Michael J. Strauss, Alexander K. Oanta, Lujia Liu, Lei Sun, Obadiah G. Reid, Gjergji Sini, Danilo Puggioni, James M. Rondinelli, Tijana Rajh, Nathan C. Gianneschi, Antoine Kahn, Danna E. Freedman, Hong Li, Stephen Barlow, Garry Rumbles, Jean-Luc Bredas, Seth R. Marder, William R. Dichtel
Summary: The bulk conductivity of 2D polymers (2DPs) can be enhanced by controlled n-doping. Optical and transient microwave spectroscopy measurements show that the n-doped 2DPs exhibit desired electronic properties. Density functional theory calculations reveal the main contribution to electronic conductivity in 2DPs. This study provides a new approach for synthesizing 2DPs with specific conductive properties.
ADVANCED MATERIALS
(2022)
Review
Chemistry, Multidisciplinary
Clarice D. Aiello, John M. Abendroth, Muneer Abbas, Andrei Afanasev, Shivang Agarwal, Amartya S. Banerjee, David N. Beratan, Jason N. Belling, Bertrand Berche, Antia Botana, Justin R. Caram, Giuseppe Luca Celardo, Gianaurelio Cuniberti, Aitzol Garcia-Etxarri, Arezoo Dianat, Ismael Diez-Perez, Yuqi Guo, Rafael Gutierrez, Carmen Herrmann, Joshua Hihath, Suneet Kale, Philip Kurian, Ying-Cheng Lai, Tianhan Liu, Alexander Lopez, Ernesto Medina, Vladimiro Mujica, Ron Naaman, Mohammadreza Noormandipour, Julio L. Palma, Yossi Paltiel, William Petuskey, Joao Carlos Ribeiro-Silva, Juan Jose Saenz, Elton J. G. Santos, Maria Solyanik-Gorgone, Volker J. Sorger, Dominik M. Stemer, Jesus M. Ugalde, Ana Valdes-Curiel, Solmar Varela, David H. Waldeck, Michael R. Wasielewski, Paul S. Weiss, Helmut Zacharias, Qing Hua Wang
Summary: This review focuses on the study of chiral degrees of freedom in matter and electromagnetic fields, discussing the recent observations of the chiral-induced spin selectivity effect and the nanophotonic strategies designed to amplify chiral light-matter interactions. The CISS effect offers opportunities for spin control and the design of room-temperature quantum devices, while chiral-optical effects could have advantages in all-optical and quantum information technologies. The review presents a vision for the future roles of chiral-influenced quantum effects in enabling room-temperature quantum technologies.
Article
Chemistry, Physical
Raiza Hernandez-Bravo, Alma D. Miranda, Jose G. Parra, Juan M. Alvarado-Orozco, Vladimiro Mujica, Jose M. Dominguez-Esquivel
Summary: The study investigates the anticorrosive effect of ionic liquids on hematite surfaces using a Density Functional Theory approach. Adsorption energy calculations and corrosion rates are used to determine the corrosion inhibitory effect of ionic liquids as a corrosion inhibitor. Various descriptors, based on the frontier orbital theory, are used to characterize the interactions that may inhibit corrosion. The study concludes that besides adsorption energy, other chemical predictors such as electronegativity and hardness also play a crucial role in describing corrosion activity.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2022)
Article
Materials Science, Ceramics
D. F. Zambrano, R. Hernandez-Bravo, A. Ruden, D. G. Espinosa-Arbelaez, J. M. Gonz Gonzalez-Carmona, V. Mujica
Summary: An experimental and computational study was conducted to evaluate the properties of Zr, ZrN, and ZrN/Zr coatings for potential use as biocompatible materials. The results showed that these coatings had high resistance to deformation, wear, and corrosion, making them suitable for dental prostheses. The main wear mechanism observed was abrasion, which was reduced when a ceramic ZrN coating was used as a base. The materials also exhibited excellent corrosion resistance when exposed to simulated body fluids, with the formation of protective layers.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Lei Sun, Luming Yang, Jin-Hu Dou, Jian Li, Grigorii Skorupskii, Michael Mardini, Kong Ooi Tan, Tianyang Chen, Chenyue Sun, Julius J. Oppenheim, Robert G. Griffin, Mircea Dinca, Tijana Rajh
Summary: Recent advancements in quantum sensing have led to transformative detection technologies with high sensitivity, precision, and spatial resolution. In this study, organic radicals integrated in a microporous metal-organic framework (MOF) were used as qubits for quantum sensing of lithium ions in solution at room temperature. The high surface area of the MOF enabled easy accessibility of the lithium ions to the organic qubits, allowing for unambiguous identification and quantitative measurement of their concentration using relaxo-metric and hyperfine spectroscopic methods based on electron paramagnetic resonance (EPR) spectroscopy. The sensing principle presented in this work can be applied to other metal ions with nonzero nuclear spin.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Tijana Rajh, Tamara Koritarov, Ben Blaiszik, Syeda Fatima Z. Rizvi, Vani Konda, Marc Bissonnette
Summary: Bioinspired photocatalysis has led to the development of a new semiconductor nanocomposite capable of converting light energy within cancerous tissues to disrupt cell metabolism and induce cell death. The activation of the nanocomposite is triggered by cancer-generated activators and does not result in toxicity to non-cancerous cells.
FRONTIERS IN CHEMISTRY
(2022)
Article
Chemistry, Physical
Sumit Naskar, Vladimiro Mujica, Carmen Herrmann
Summary: Electrons moving through chiral molecules are selectively influenced by their spin orientation and the helicity of the molecule in a phenomenon called chiral-induced spin selectivity (CISS). In this study, carbon helices connected to gold electrodes were investigated using a non-equilibrium Green's function method, a Landauer approach, and density functional theory. It was found that the transmitted electrons exhibited spin polarization, which was also observed in the non-equilibrium electronic structure of the junctions. Although the spin polarization was small, its sign changed with the current direction and the handedness of the molecule. The use of computationally more expensive hybrid functionals may lead to larger spin polarization, suggesting that non-equilibrium spin polarization could be a key element in understanding the CISS mechanism.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Alexander K. Oanta, Kelsey A. Collins, Austin M. Evans, Saied Md Pratik, Lyndon A. Hall, Michael J. Strauss, Seth R. Marder, Deanna M. D'Alessandro, Tijana Rajh, Danna E. Freedman, Hong Li, Jean-Luc Bredas, Lei Sun, William R. Dichtel
Summary: This study introduces a method of embedding electronic spin qubits into two-dimensional polymers and analyzes the spin relaxation times at different spin densities and temperatures. The results show that lower spin densities lead to longer spin relaxation times, while higher spin densities decrease the spin relaxation times. The study demonstrates that dispersing electronic spin qubits within layered 2DPs enables chemical control of their inter-qubit interactions and spin decoherence times.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Ana M. Ortuno, Pablo Reine, Luis alvarez de Cienfuegos, Irene R. Marquez, Wynand Dednam, Enrico B. Lombardi, Juan J. Palacios, Edmund Leary, Giovanna Longhi, Vladimiro Mujica, Alba Millan, M. Teresa Gonzalez, Linda A. Zotti, Delia Miguel, Juan M. Cuerva
Summary: We report on the chemical design of chiral molecular junctions with stress-dependent conductance, whose helicity is maintained during the stretching of a single molecule junction due to the stapling of both ends of the inner helix. The conductance values and plateau-length distributions of the reported compounds show different pathways and conformations of the helical structures. Density Functional Theory calculations demonstrate the large chiro-optical responses and potential use of these molecules as unimolecular spin filters with ab-initio estimation of CISS-originating spin polarization for a realistic molecular system.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Daniel Finkelstein-Shapiro, Pierre-Adrien Mante, Sinan Balci, Donatas Zigmantas, Tonu Pullerits
Summary: In polaritons, the properties of matter are modified by mixing molecular transitions with light modes, leading to hybrid light-matter states and modified exciton dynamics. This article rigorously derives non-Hermitian Hamiltonians in the response function formalism of nonlinear spectroscopy and explores spectroscopic signatures of plexcitons. The study reveals interference and Rabi splitting in linear spectroscopy and a qualitative change in the symmetry of the line shape of the nonlinear signal when crossing the exceptional point.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Multidisciplinary Sciences
Jia-Shiang Chen, Kasidet Jing Trerayapiwat, Lei Sun, Matthew D. Krzyaniak, Michael R. Wasielewski, Tijana Rajh, Sahar Sharifzadeh, Xuedan Ma
Summary: Researchers report highly confined and long-lived electron spins in chemically functionalized nanotubes and demonstrate their coherent control. These findings indicate that combining molecular approaches with inorganic crystalline systems provides a powerful route for reproducible and scalable quantum materials suitable for qubit applications.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Tijana Rajh, Eric Masson, Kyaw Zin Latt, Ashton Smith, Alexander M. Brugh, Naveen Dandu, Daniel Trainer, Larry A. Curtiss, Anh T. Ngo, Saw-Wai Hla
Summary: Variable temperature electron paramagnetic resonance (VT-EPR) was used to explore the impact of environment and oxidation states on coordinated Eu compounds. Reduction of Eu(III) chelating complexes resulted in the formation of paramagnetic species. The EPR spectrum of reduced complexes showed axially symmetric signals, successfully simulated with two Eu isotopes. Illumination of a water-soluble complex led to ligand-to-metal charge transfer and the formation of Eu(II) in a rhombic environment. Encapsulation with Cucurbit[7]uril inhibited charge transfer and prevented the formation of Eu(II).
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Mayra Peralta, Steven Feijoo, Solmar Varela, Rafael Gutierrez, Gianaurelio Cuniberti, Vladimiro Mujica, Ernesto Medina
Summary: We investigate the role of electron-spin-phonon coupling in DNA using an effective model Hamiltonian and its connection to the Chiral-Induced Spin Selectivity (CISS) effect. The semiclassical electron transfer in a tight-binding model of DNA with intrinsic spin-orbit coupling is described using the envelope function approach. We find that only acoustic modes exhibit spin-phonon coupling, while optical modes show electron-phonon interaction without spin coupling. An effective Hamiltonian is derived, in which the eigenstates carry spin currents protected by spin-inactive stretching optical modes. The stronger interaction between optical phonons and electrons allows for the decoherence effects and the spin filtering effects observed in CISS.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Tijana Rajh, Lei Sun, Shobhit Gupta, Jun Yang, Haitao Zhang, Tian Zhong
Summary: The study investigates the spin Hamiltonian and dynamics of Er-167(3+) spins in Y2O3 using EPR spectroscopy, revealing long electronic spin coherence time and potential applications in quantum technologies.
MATERIALS FOR QUANTUM TECHNOLOGY
(2022)
