Article
Chemistry, Analytical
Ariany Soares Coco, Fabiana Vasconcelos Campos, Camilo Arturo Rodriguez Diaz, Marco Cesar Cunegundes Guimaraes, Adilson Ribeiro Prado, Jairo Pinto de Oliveira
Summary: In this study, a biosensor utilizing the localized surface plasmon resonance (LSPR) of gold nanoparticles (AuNPs) was developed to detect glyphosate in food samples. AuNPs were synthesized, functionalized with either cysteamine or anti-glyphosate antibody, and characterized using various techniques. Both conjugates successfully detected the presence of glyphosate, with the antibody functionalized AuNPs exhibiting broader detection range and better performance. This study demonstrates the potential of AuNP-based biosensors for glyphosate detection in food samples.
Article
Chemistry, Multidisciplinary
Amir Ziv, Omer Shoseyov, Prajith Karadan, Brian P. Bloom, Sharone Goldring, Tzuriel Metzger, Shira Yochelis, David H. Waldeck, Roie Yerushalmi, Yossi Paltiel
Summary: A nanoscale chirality sensor has been proposed for continuously monitoring molecular chirality in real-time and for chiral recognition of small quantity samples, utilizing a gold nanofloret hybrid structure.
Article
Chemistry, Multidisciplinary
Chun-Yuan Wang, Yungang Sang, Xinyue Yang, Soniya S. Raja, Chang-Wei Cheng, Haozhi Li, Yufeng Ding, Shuoyan Sun, Hyeyoung Ahn, Chih-Kang Shih, Shangjr Gwo, Jinwei Shi
Summary: This study demonstrates a strong coupling system achieved by coupling localized surface plasmon modes. Under specific conditions, a root N scaling of Rabi splitting energy is observed, along with a confirmed giant Rabi splitting in the visible spectral range. Additionally, the coupling strength reaches the ultrastrong coupling regime in some cases, representing about 10% of the mode energy.
Article
Chemistry, Multidisciplinary
Sinem Diken Gur, Monireh Bakhshpour, Adil Denizli
Summary: In this study, a nanoscale surface plasmon resonance (SPR) sensor was developed to determine the level of ovarian cancer marker CA 125 in serum using the molecular imprinting method. The developed sensor system exhibited high sensitivity, selectivity, and reliability, and was able to accurately detect CA 125 levels even in complex media.
NEW JOURNAL OF CHEMISTRY
(2022)
Review
Chemistry, Analytical
Seunghun Lee, Hyerin Song, Heesang Ahn, Seungchul Kim, Jong-ryul Choi, Kyujung Kim
Summary: This article discusses the latest research methods and experimental results of fiber-optic LSPR sensors, confirming their potential applications in the fields of chemistry, physics, and biology with the ability to achieve high sensitivity target measurements.
Article
Chemistry, Analytical
Tuhina Banerjee, Nilamben Panchal, Carissa Sutton, Rebekah Elliott, Truptiben Patel, Kajal Kajal, Eniola Arogunyo, Neelima Koti, Santimukul Santra
Summary: Frequent outbreaks of food-borne pathogens, particularly E. coli O157:H7, have significant effects on human health and the agricultural economy. Current detection methods for E. coli O157:H7 are sensitive but time-consuming and require extensive sample processing. To address these limitations, a novel magneto-plasmonic nanosensor (MPnS) was developed by integrating surface plasmon resonance (SPR) properties with spin-spin magnetic relaxation (T2 MR) technology. The MPnS exhibited rapid and ultrasensitive detection of E. coli O157:H7 using SPR, T2 MR, and colorimetric readout, with no cross-reactivity. It holds great potential for the detection of other foodborne pathogens, offering a simple and timely approach.
Article
Materials Science, Multidisciplinary
Zhengfen Wan, Shujun Wang, Ben Haylock, Zhiqing Wu, Tuan-Khoa Nguyen, Hoang-Phuong Phan, Robert Sang, Nam-Trung Nguyen, David Thiel, Sergio Koulakov, Adrian Trinchi, Yongsheng Gao, Mirko Lobino, Qin Li
Summary: This study fabricates graphene sheets decorated with Au nanoparticles using milliwatt femtosecond laser reduction, revealing enhanced reduction of graphene oxide sheets and nucleation and growth of Au nanoparticles during the in situ laser treatment. Three stages of reactions are considered, involving spontaneous redox reactions, laser-induced decomposition, and localized surface plasmon resonance enhanced photoreduction. The Au nanoparticles form densely and evenly distributed square-lattice-like microcrack networks, enabling the development of flexible graphene/Au strain sensors with high gauge factors and linear behavior up to 25.4% strain, demonstrating the potential for highly functional, low-cost, flexible, and wearable graphene-based electronics.
ADVANCED MATERIALS TECHNOLOGIES
(2021)
Article
Chemistry, Multidisciplinary
Jun-Wei Liao, Zhen-Ting Huang, Chia-Hung Wu, Nikita Gagrani, Hark Hoe Tan, Chennupati Jagadish, Kuo-Ping Chen, Tien-Chang Lu
Summary: In this study, localized surface plasmon lasing at room temperature in the communication band was achieved using metallic nanoholes as plasmonic nanocavity and InP nanowires as gain medium. Optimization of laser performance was demonstrated through coupling between two metallic nanoholes, allowing for manipulation of lasing properties. These plasmonic nanolasers offer lower power consumption, smaller mode volumes, and higher spontaneous emission coupling factors, making them promising for high-density sensing and photonic integrated circuits.
Article
Optics
M. S. Sutrisno, N. S. Sabri, M. H. M. Zaid, R. Hisam
Summary: The optical dispersion properties of the 20Li2O-xBi2O3-(78-x)TeO2-1Er2O3-1Ag glass system were studied. The Eo and Ed values decrease with increasing Bi2O3 concentration, reaching a maximum at x = 11 mol%. Bi2O3 acts as a glass former, inducing bond formation and contributing to average bond strength. It also minimally transforms the glass network, leading to a maximum in Ed. The dielectric properties of the glass samples were computed. The er and ei values initially decrease at x <= 7 mol% before reaching a maximum at x = 11 mol%. The localized surface plasmon resonance of the Ag NP is dependent on the dielectric properties of Er3+ host glass. The electrical chi and Clausius-Mossotti polarizability aL show a maximum at x = 13 mol%, contributing to strong localized surface plasmon resonance.
OPTICS AND LASER TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Mengdi Lu, Wei Peng, Ming Lin, Fang Wang, Yang Zhang
Summary: A self-assembled templating technique using block copolymer layer was proposed for LSPR sensors, resulting in a high uniformity and density of gold nanoparticle monolayer. The performance in LSPR resonance wavelength and refractive index sensitivity significantly improved compared to conventional techniques, with a notable decrease in detection limit.
Review
Chemistry, Analytical
Dong Min Kim, Jong Seong Park, Seung-Woon Jung, Jinho Yeom, Seung Min Yoo
Summary: Localized surface plasmon resonance (LSPR)-based biosensors have attracted increasing attention for their label-free, portable, low-cost, and real-time monitoring capabilities of diverse analytes. Recent advances in this technology focus on biochemical markers in clinical and environmental settings, utilizing advances in nanostructure technology. Exciting prospects for enhanced sensing performance in biosensors are also discussed in this review.
Article
Chemistry, Multidisciplinary
Angeline S. Dileseigres, Yoann Prado, Olivier Pluchery
Summary: The functionalization of gold nanoparticles with thiol molecules in solution is crucial for their application development. In this study, the changes in localized surface plasmon resonance (LSPR) peak due to the reaction between thiol molecules and gold nanoparticles were investigated using UV-visible spectroscopy. The saturation of thiol molecules on the nanoparticle surface was confirmed, and the wavelength shift was accurately predicted using an analytical model. The kinetics of the functionalization reaction were found to be rapid, completing in less than an hour.
Article
Polymer Science
Mohd Hafiz Abu Bakar, Nur Hidayah Azeman, Nadhratun Naiim Mobarak, Nur Afifah Ahmad Nazri, Tengku Hasnan Tengku Abdul Aziz, Ahmad Rifqi Md Zain, Norhana Arsad, Ahmad Ashrif A. Bakar
Summary: This research investigates the physicochemical properties of biopolymer succinyl-kappa-carrageenan as a potential sensing material for NH4+ Localized Surface Plasmon Resonance (LSPR) sensor. The results show that AgNP-Succinyl-kappa-carrageenan LSPR has higher performance than AgNP-kappa-carrageenan LSPR, broader detection range than the conventional method, and high selectivity toward NH4+. The adsorption of NH4+ on kappa-carrageenan and succinyl-kappa-carrageenan were through multilayer and chemisorption process that follows Freundlich and pseudo-second-order kinetic model.
Article
Chemistry, Multidisciplinary
Yu Chen, Meng Wang, Kai Zheng, Yaguang Ren, Hao Xu, Zhongzheng Yu, Feifan Zhou, Chengbo Liu, Junle Qu, Jun Song
Summary: This study presents an effective strategy to synthesize antimony nanopolyhedrons and successfully observes the modulation effect of different morphologies on their localized surface plasmon resonance in experimentation. Antimony nanopolyhedrons exhibit excellent performance in PTCE and good photothermal stability, as well as biocompatibility. The research also demonstrates the construction of multifunctional nanomedicines based on antimony nanopolyhedrons for efficient photoacoustic-imaging-guided synergistic photothermal/immune-therapy of tumors in vivo.
ADVANCED MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Yi-Yan Li, Chu-Yao Zhong, Mei-Xin Li, Qiao-Yi Zhang, Yibo Chen, Zhao-Qing Liu, Jin Zhong Zhang
Summary: The performance of photocatalytic reduction of Cr(vi) is improved by tuning the localized surface plasmon resonance (LSPR) of W18O49 nanostructures through morphology control. The blue shift and intensity increase of the corresponding LSPR bands are attributed to morphology changes from nanowires to nanobundles and urchin-like nanospheres, resulting in enhanced photocatalytic activity.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Physical
Artur Movsesyan, Alina Muravitskaya, Marion Castilla, Sergei Kostcheev, Julien Proust, Jerome Plain, Anne-Laure Baudrion, Remi Vincent, Pierre-Michel Adam
Summary: In this study, the substrate-induced hybridization of plasmonic modes of a silver nanocylinder was experimentally and numerically investigated. The applications of plasmonic nanoparticles rely on their mode spectral position and near-field distribution, but introducing them into a sensing system can result in changes in mode nature and hybridization or dehybridization effects.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Nanoscience & Nanotechnology
Adrien Lalisse, Abeer Al Mohtar, Minh Chau Nguyen, Remi Carminati, Jerome Plain, Gilles Tessier
Summary: Temperature characterization and quantification at the nanoscale is a core challenge in applications relying on photoinduced heating of nanoparticles. A new approach combining modulated photothermal stimulation and heterodyne digital holography allows for quantitative temperature measurements on individual nanoparticles with a precision of 0.3 K without the need for calibration or fitting parameters. Additionally, the dependence of temperature on the aspect ratio of gold nanoparticles is investigated, showing good agreement with numerical simulation.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Materials Science, Multidisciplinary
M. Hadded, A. Hmima, T. Maurer, A. Chehaidar, J. Plain
Summary: The paper theoretically analyzes the absorption and scattering efficiencies of a single magnetoplasmonic nanoparticle in human tissue, focusing on different nanostructures and their optical responses. It highlights the potential of these nanostructures in photothermal therapy, with an emphasis on the spectral position and magnitude of resonant absorption peaks.
Editorial Material
Optics
Gregory Barbillon
Article
Nanoscience & Nanotechnology
Marion Castilla, Silvere Schuermans, Davy Gerard, Jerome Martin, Thomas Maurer, Uri Hananel, Gil Markovich, Jerome Plain, Julien Proust
Summary: This article reports on a method for the production of crystalline aluminum nanoparticles starting from commercial aluminum foils without the use of a catalyst. The obtained nanoparticles have long-term stability in ethanol and exhibit well-defined plasmonic resonances.
Article
Physics, Applied
Andrey K. Sarychev, Andrey Ivanov, Andrey N. Lagarkov, Ilya Ryzhikov, Konstantin Afanasev, Igor Bykov, Gregory Barbillon, Nikita Bakholdin, Mikhail Mikhailov, Alexander Smyk, Alexander Shurygin, Alexander Shalygin
Summary: This study presents the design and fabrication of metal-dielectric metasurfaces, as well as their application in the excitation of plasmons and surface-enhanced Raman scattering. By utilizing the periodic arrangement of metal nanogratings on a dielectric substrate, an open plasmon resonator is formed, leading to the enhancement of the local electromagnetic field at optical frequencies.
PHYSICAL REVIEW APPLIED
(2022)
Article
Optics
Gregory Barbillon
Summary: This study presents a research on the sensing of chemical molecules using Au nanoparticles coated ZnO film by employing the photo-induced enhanced Raman scattering (PIERS) coupled to the surface-enhanced Raman scattering (SERS). The aim of coupling the PIERS to classical SERS is to achieve high sensitivity of detection. The detection of thiophenol showed a limit concentration of 100 pM, an adsorption capacity (K-Ads) of 3.2 x 10(6) M-1 and an analytical enhancement factor of 1.9 x 10(10).
Review
Biochemistry & Molecular Biology
Gregory Barbillon
Summary: Metasurfaces have the ability to confine electromagnetic fields on large surfaces and zones, making them suitable for applications in biochemical sensing, photocatalysis, etc. They enhance the effects of SERS and SEIRA sensing by the presence of hotspots and confined optical modes within their structures, as well as by supporting resonances at frequencies of the excitation and emission processes. Additionally, Metasurfaces enhance the absorption capacity of solar light and generate more catalytic active sites for faster surface reactions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Gregory Barbillon, Christophe Humbert, Maria Ujue Gonzalez, Jose Miguel Garcia-Martin
Summary: In this study, we investigated chemical sensing using surface-enhanced Raman scattering with gold nanocolumn templates. The glancing angle deposition with magnetron sputtering technique was chosen for its low-cost production and ease of implementation. The fabricated gold nanocolumnar structures allowed for the production of a high density of strongly confined electric field spots. The vertical and tilted nanocolumnar templates showed promising results for the detection and adsorption of thiophenol molecules.
Article
Chemistry, Analytical
Nour Beydoun, Yann Niberon, Laurent Arnaud, Julien Proust, Komla Nomenyo, Shuwen Zeng, Gilles Lerondel, Aurelien Bruyant
Summary: This research demonstrates that applying a thin layer of aluminum oxide to copper films can effectively slow down the oxidation rate. This simple method could provide a new approach for producing alternative and more sustainable biochips.
Article
Materials Science, Multidisciplinary
Thinhinane Aoudjit, Andreas Horrer, Sergei Kostcheev, Renaud Bachelot, Jerome Plain, Davy Gerard
Summary: This article reports a subwavelength imaging approach based on the interaction between the enhanced optical near-field around chiral nanoparticles and an azobenzene molecular probe. It is experimentally demonstrated that the near-field of chiral structures exhibit dissymmetry under left and right circular polarizations. The near-field dissymmetry factor, related to the local circular dichroism of the near-field intensity, can be experimentally mapped.
ADVANCED OPTICAL MATERIALS
(2023)
Review
Physics, Applied
Alemayehu Nana Koya, Marco Romanelli, Joel Kuttruff, Nils Henriksson, Andrei Stefancu, Gustavo Grinblat, Aitor De Andres, Fritz Schnur, Mirko Vanzan, Margherita Marsili, Mahfujur Rahaman, Alba Viejo Rodriguez, Tlek Tapani, Haifeng Lin, Bereket Dalga Dana, Jingquan Lin, Gregory Barbillon, Remo Proietti Zaccaria, Daniele Brida, Deep Jariwala, Laszlo Veisz, Emiliano Cortes, Stefano Corni, Denis Garoli, Nicolo Maccaferri
Summary: In the past twenty years, significant progress has been made in understanding light-driven phenomena in nanoscale systems, while exploring the temporal dynamics of excited states remains a challenge. Ultrafast plasmonics, which focuses on tailoring and controlling optical and electronic processes at the nanoscale, offers great potential for applications such as optical switching and photochemical reactions. This review provides an overview of the field, discussing methodologies for monitoring and controlling nanoscale phenomena with plasmons, and highlighting recent advances in plasmon-driven chemistry and multifunctional plasmonics.
APPLIED PHYSICS REVIEWS
(2023)
Article
Chemistry, Physical
Gregory Barbillon
Summary: This study investigates the Fermi level shifts of gold nanospheres on zinc oxide (ZnO) film upon UV irradiation. The shifts are obtained by recording the extinction spectra of gold nanospheres and are attributed to the additional electrons stored in the nanospheres from ZnO film. The blueshift of plasmon resonance of the Au nanospheres indicates the transfer of electrons from ZnO film to Au nanospheres upon UV irradiation. The Fermi level shifts vary with UV irradiation time and can be estimated by a model based on the electronic structure of a semiconductor.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Review
Chemistry, Multidisciplinary
Jimmy Soueiti, Rim Sarieddine, Hind Kadiri, Akram Alhussein, Gilles Lerondel, Roland Habchi
Summary: Since the discovery of black silicon, scientists worldwide have been exploring various methods to utilize this super material in different industries due to its low reflectivity and excellent electronic and optoelectronic properties. This review presents common fabrication methods of black silicon, including metal-assisted chemical etching, reactive ion etching, and femto-second laser irradiation. It assesses different nanostructured silicon surfaces based on their reflectivity and applicable properties in both visible and infrared ranges. The review also discusses the most cost-efficient technique for mass production of black silicon and potential alternative materials to replace silicon. Furthermore, it investigates the applications of black silicon in solar cells, IR photo-detectors, and antibacterial purposes, along with the challenges faced.
Article
Chemistry, Multidisciplinary
Andrey K. Sarychev, Gregory Barbillon, Andrey Ivanov
Summary: This study presents generic, analytical equations for the localized plasmons in a narrow gap between a metal/dielectric cylinder and a metal surface. The electric field distribution in the nanogap is obtained using the quasi-static approximation. The maximum electric field is achieved when the incident light is in resonance with the plasmon mode in the gap, and can be significantly enhanced. The analytical model results are in good agreement with a known theoretical model and experimental results of surface-enhanced Raman scattering (SERS). The narrow gap resonator appears to be a powerful and flexible tool for various spectroscopies such as SERS and infrared absorption.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Physical
Erhao Gao, Wenjing Feng, Qi Jin, Li Han, Yi He
Summary: The influence of K-doping on the reactive oxygen species and elementary reactions of HCHO catalytic oxidation was investigated using density functional theory (DFT). The introduction of K-doping changed the electronic structures of Ce and O, facilitating the adsorption and activation of HCHO and O2 molecules, enhancing lattice oxygen mobility, and reducing the energy barrier for HCHO oxidation. K-doping also promoted the formation of hydroxyl groups, facilitating HCHO adsorption and oxidation.
Article
Chemistry, Physical
Hao Fu, Zhangliang Xu
Summary: In this study, the adsorption mechanisms and detection performance of formaldehyde, ammonia, and sulfur dioxide on undoped and metal-doped ZnO surfaces were investigated using density functional theory. The results showed that formaldehyde and ammonia were physically adsorbed on the undoped ZnO surface, while sulfur dioxide was weakly chemisorbed. The adsorption energy was enhanced when ZnO was doped with metals. These findings provide theoretical guidance for the application of ZnO substrate materials in gas sensitivity research.
Article
Chemistry, Physical
Atsushi Nomura, Tohru Kurosawa, Migaku Oda, Satoshi Demura, Shogo Kuwahara, Sora Kobayashi, Hideaki Sakata
Summary: The study investigates the tunneling spectra of 1T-TiSe2 in the CDW state and the dip structure below the Fermi level, aiming to determine whether this dip is a CDW gap. The answer to this question is crucial for understanding the driving mechanism of CDW.
Article
Chemistry, Physical
A. S. Petrov, D. I. Rogilo, A. I. Vergules, V. G. Mansurov, D. V. Sheglov, A. V. Latyshev
Summary: This study investigates Si mass transport and morphological transformations on the Si(111) surface during (root 3 x root 3)-Sn reconstruction formation and Si homoepitaxy. The research shows that the formation of different Sn phases at different temperatures affects the Si island nucleation and monatomic step shift, which in turn impact the morphology of the Sn/Si(111) interface. Electromigration-induced drift of disordered Sn domains leads to enhanced noncompensated Si mass transport and surface roughening.
Article
Chemistry, Physical
D. V. Gruznev, L. V. Bondarenko, A. Y. Tupchaya, A. A. Yakovlev, A. N. Mihalyuk, A. V. Zotov, A. A. Saranin
Summary: Deposition of thallium (Tl) onto the Au/Si(111)5 x 2 reconstruction followed by annealing results in the formation of a surface structure with 4 x 2 periodicity. The immiscibility of Au and Tl leads to the migration of Tl atoms over the Si chains. Thallium donates electrons to the surface, converting the metallic surface into an insulating state and altering the inter-chain distance within the array of Au atomic wires.
Article
Chemistry, Physical
Simone Giusepponi, Francesco Buonocore, Barbara Ferrucci, Massimo Celino
Summary: Using ab-initio calculations, the interaction between lead adatom and both clean and doped iron (100) surfaces was investigated. It was found that the lead adatom prefers to adsorb in the hollow site, which is more stable compared to the top and bridge sites, and in this position, it is energetically favorable over the iron adatom. Moreover, lead adsorbed in the hollow site of the iron (100) surface doped with chromium was found to create a more stable system compared to nickel-doped surfaces with an iron adatom in the same position. The study also explored inter-layer distances, bonding mechanisms, magnetic behaviors, and charge density differences. The results provide insights into the role of doping in the interaction between lead adatom and iron surface, and have implications for the analysis of corrosion processes caused by liquid lead.
Article
Chemistry, Physical
Shuo Zhang, Jin-Ho Choi
Summary: The recent synthesis of two-dimensional layered WSi2N4 has attracted attention due to its potential applications. This study investigates the catalytic performance of WSi2N4 monolayers with nitrogen vacancies in the hydrogen evolution reaction using first-principles calculations. The results show that the defective WSi2N4 monolayers exhibit remarkably high catalytic activity comparable to platinum catalysts. Electronic structure calculations also reveal the emergence of spin-polarized states due to the introduction of nitrogen vacancies.
Article
Chemistry, Physical
Xiaoyan Yu, Xin Cao, Wei Kang, Shanhua Chen, Ao Jiang, Yuhao Luo, Wenwei Deng
Summary: First-principles calculations were used to investigate the electronic properties of a TiO2 heterostructure modified with Bi2Te3 co-catalyst. The study revealed that the Bi2Te3/TiO2 interface introduced optimal band offsets, effectively suppressing electron-hole recombination and enhancing the utilization efficiency of photo-generated carriers. Additionally, the Bi2Te3 co-catalyst introduced extra catalytic active sites, further boosting the photo-catalytic hydrogen evolution efficiency.
Article
Chemistry, Physical
Filippo Longo, Emanuel Billeter, Selim Kazaz, Alessia Cesarini, Marin Nikolic, Aarati Chacko, Patrik Schmutz, Zbynek Novotny, Andreas Borgschulte
Summary: Alkaline water electrolysis is a simple and efficient method for renewable hydrogen production, utilizing cheap and abundant transition metals. The catalytic properties of Ni materials are enhanced by the formation of oxidized compounds on the surface. The high electrocatalytic activity of Ni (oxy)-hydroxides is directly related to water intercalation in the passivation layer, supporting the hypothesis of a water mediated OH- diffusion mechanism. The self-organization of the surface structure during passivation layer formation enables high electrode performance.
Article
Chemistry, Physical
Mohan Kumar Kuntumalla, Miriam Fischer, Alon Hoffman
Summary: By investigating the bonding, retention, and thermal stability of nitrogen in H-Diamond (100), it was found that nitrogen can partially recover its bonding with carbon atoms after high-temperature annealing, indicating a high thermal stability of nitrogen in diamond.
Article
Chemistry, Physical
Dong Yue, Liangying Wen, Rong Chen, Jianxin Wang, Zhongqing Yang
Summary: The adsorption behavior of Cl2 molecules on the TiC surface and the formation and transfer of reaction products were studied using first-principles ab initio calculations. The results show that the Cl atoms bonded to the surface Ti atoms are more stable, and the TiCl3 intermediate is easier to form than the TiCl2 intermediate.
Article
Chemistry, Physical
Yatao Wang, Peng Zhang, Hongjuan Li, Qiuju Xu, Shujun Liu, Xiaopeng Liu, Xuehua Guo, Yitao Li, Jinzhang Liu, Sen Dong, Zhi Wei Seh, Qianfan Zhang
Summary: In this study, the adsorption performance of two types of metal-organic frameworks (MOFs) for thiophene and benzene was experimentally investigated. The results showed that IZE-1 exhibited high selectivity and superior adsorption capacity for thiophene, especially at low concentrations. First-principles calculations and molecular dynamics simulations provided insights into the mechanism of thiophene adsorption and the high selectivity observed. This research demonstrates the potential of MOFs for thiophene adsorption, particularly at high concentrations.
