Article
Nanoscience & Nanotechnology
Andrea E. A. Bracesco, Jarvi W. P. Jansen, Haibo Xue, Valerio Zardetto, Geert Brocks, Wilhelmus M. M. Kessels, Shuxia Tao, Mariadriana Creatore
Summary: By optimizing the optoelectronic properties of the absorber and its interfaces with charge transport layers (CTLs), perovskite photovoltaics has achieved conversion efficiencies of 26.0%. However, commonly adopted organic CTLs can cause parasitic absorption and device instability, so metal oxides like atomic layer-deposited SnO2 have been introduced for enhanced stability. When ALD SnO2 is directly processed on the absorber without the fullerene layer, chemical modifications of the inorganic fraction of the perovskite occur, compromising the device performance.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Applied
Yunjian Ling, Yihua Ran, Weipeng Shao, Na Li, Feng Jiao, Xiulian Pan, Qiang Fu, Zhi Liu, Fan Yang, Xinhe Bao
Summary: This study investigates the adsorption and reaction of CO/H-2 on ZnCr2O4 catalysts using in-situ Fourier-transform infrared spectroscopy and X-ray photoelectron spectroscopy. The results show that the reduced ZnCr2O4 catalyst exhibits better surface adsorption and reactivity than the oxidized catalyst. The study also reveals that the hydrogenation of CO requires the presence of surface hydride species on the reduced ZnCr2O4.
CHINESE JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Multidisciplinary
Sijun Wu, Guoming Zhou, Xiaoyang Zhang, Guangpu Fang, Jiahe Qian, Kun Zhang, Wenlong Li
Summary: In this study, a method combining near-infrared spectroscopy and machine learning was proposed for determining the extraction end-point and characterizing the real extraction status of Gegen Qinlian Decoction. Calibration models based on partial least squares regression, extreme learning machine, and Gaussian process regression were developed. The moving block standard deviation algorithm was applied for end-point determination. The multivariate statistical process control model was utilized for malfunction identification during the extraction process. The established methods may serve as a potential strategy for real-time monitoring of complex chemical systems.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Lester Andrews, Han-Gook Cho
Summary: At lower temperatures, cadmium atoms react with cyanogen to produce various reaction products, with further processing leading to increased formation of dimetal products and decreased formation of single metal products. Group 12 metals exhibit different reaction characteristics in the formation of cyanides and isocyanides, with the molecular structures and bond lengths comparing favorably with dimetal complexes stabilized by large ring containing molecular ligands.
Article
Chemistry, Multidisciplinary
Hanna Morales Hernandez, Qiwei Sun, Matthew Rosati, Rebecca L. M. Gieseking, Christopher J. Johnson
Summary: The role of hydrogen atoms as surface ligands on metal nanoclusters is of profound importance but remains difficult to directly study. Here, we used gas-phase infrared spectroscopy to directly test the behavior of hydrogen atoms in the prototypical Au-9(PPh3)(8)H2+ nanocluster. Our results support the notion that hydrogen atoms in the nanocluster behave as acidic protons and play key roles in synthetic or catalytic mechanisms.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Energy & Fuels
Eri Fumoto, Shinya Sato, Yuki Kawamata, Yoshihito Koyama, Takuya Yoshikawa, Yuta Nakasaka, Teruoki Tago, Takao Masuda
Summary: FT-IR spectroscopy was used to examine the carbonyl functional groups in lignin-derived fractions. The absorption spectrum of carbonyl in these fractions was observed at 1707 cm(-1). The amount of carbonyl in the lignin-derived fraction was estimated using DMSO-d6 solutions of model carbonyl compounds analyzed by FT-IR, indicating that approximately 20% of oxygen in the fraction was from carbonyl functional groups.
Article
Nanoscience & Nanotechnology
Dorothee Menzel, Alvaro Tejada, Amran Al-Ashouri, Igal Levine, Jorge Andres Guerra, Bernd Rech, Steve Albrecht, Lars Korte
Summary: This study employs advanced near-UV photoemission spectroscopy to investigate the density of occupied states in the valence band and band gap of a triple-cation lead halide perovskite. A valence band model is established to accurately determine valence band maxima at different k-vectors, providing insights into defect states formation during perovskite decomposition. The research highlights the effectiveness of near-UV CFSYS with modeling in characterizing the valence band and quantifying defect states in lead halide perovskites.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Hikaru Saito, Hiromasa Sato, Taisuke Higashi, Toshiki Sugimoto
Summary: The study reports a new function of metal cocatalysts in photocatalytic oxidation, where they accept photogenerated holes and dominate the selectivity of methane oxidation. This novel photocatalytic role provides a new understanding of photocatalysis and a solid basis for controlling non-thermal redox reactions by metal-cocatalyst engineering.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Food Science & Technology
Carlotta Ceniti, Anna Antonella Spina, Cristian Piras, Francesca Oppedisano, Bruno Tilocca, Paola Roncada, Domenico Britti, Valeria Maria Morittu
Summary: To ensure the safety and quality of milk, new tools have been developed to detect chemical contaminants, toxins, veterinary drugs, and adulteration of milk from different species. Mid-infrared spectroscopy and Fourier-transform infrared have been commonly used technologies for rapid screening of hazardous substances and confirmation of milk authenticity. These fingerprint methods can effectively determine the characteristics of raw materials without knowing the identity of each constituent, making them potential screening methods for adulteration detection. This paper reviews the latest advances in applying mid-infrared spectroscopy for the detection and quantification of adulterants, milk dilution, pathogenic bacteria, veterinary drugs, and hazardous substances in milk.
Article
Materials Science, Multidisciplinary
Heng Li, Jianmin Jiao, Wang Xie, Yue Zhao, Chen Lin, Juli Jiang, Leyong Wang
Summary: Single crystal X-ray diffraction is a reliable method for determining molecular structures, but it has limitations with oily organic molecules. A new crystallization chaperone called TMAPA was developed to overcome this limitation and successfully determined the structures of 51 organic guest molecules. The introduction of anthracene moieties in TMAPA allowed for efficient capture of guest molecules. This work opens up new possibilities for identifying and determining the conformation of unknown oily organic molecules.
ACS MATERIALS LETTERS
(2023)
Article
Spectroscopy
Agustina M. Goni, Javier A. Fernandez, Paula A. Demarco, Mario A. Secchi, Ana J. P. Carcedo, Ignacio A. Ciampitti
Summary: Near infrared spectroscopy (NIRS) was evaluated as a rapid and non-destructive method for determining the concentration of water-soluble carbohydrates (WSC) in stem fractions for winter canola, maize, and sorghum crops. The study confirmed the reliability of NIRS through comparison with chemical lab analysis and identified the critical spectral range.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Multidisciplinary Sciences
Rosario Javier-Astete, Jessenia Melo, Jorge Jimenez-Davalos, Gaston Zolla
Summary: This study validated a model for the classification of wood species and a universal model for the rapid determination of cellulose, hemicellulose, and lignin using FTIR spectroscopy coupled with chemometrics. The results showed that the full spectra can be used to differentiate different species and identify infrared peaks associated with cellulose, hemicellulose, and lignin. In addition, the full spectra helped build a three species universal model for quantifying the principal wood chemical components. Therefore, the study demonstrated that FTIR-ATR, together with chemometrics, is a reliable method for discriminating wood species and determining wood chemical composition.
SCIENTIFIC REPORTS
(2023)
Article
Optics
Anders Lochte Jorgensen, Mads Nibe Larsen, Victor Petrunin, Jakob Kjelstrup-Hansen, Bjarke Jorgensen
Summary: This study demonstrates the possibility of recognizing specific materials from hyperspectral thermal images and successfully distinguishes multiple materials using a logistic regression model. The surface temperature is predicted using a partial least squares (PLS) model, which outperforms conventional thermography with a smaller root mean square error.
Article
Physics, Applied
Alexander F. Goncharov, Elena Bykova, Maxim Bykov, Xiao Zhang, Yu Wang, Stella Chariton, Vitali B. Prakapenka, Jesse S. Smith
Summary: The study synthesized carbon-rich C-S-H compounds using methane and determined their structure and composition through Raman spectroscopy and single-crystal x-ray diffraction, revealing the presence of methane molecules substituting hydrogen sulfide molecules. The structural behavior of the compounds undergoes transitions at different pressures and demonstrates a distortion into a Pnma structure at 132-159 GPa before transforming into a common H3S phase at higher pressures. However, no structural anomaly is detected near 220 GPa, where a sharp increase in T-c has been reported.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Shuli Wang, Mateusz Dyksik, Carola Lampe, Moritz Gramlich, Duncan K. Maude, Michal Baranowski, Alexander S. Urban, Paulina Plochocka, Alessandro Surrente
Summary: This study demonstrates the use of large in -plane magnetic fields to enhance the brightness of optically inactive states in CsPbBr3-based nanoplatelets, allowing for the direct determination of the energy splitting between dark and bright exciton states. Thicker nanoplatelets exhibit smaller splitting due to reduced exciton confinement. The study also reveals nonthermalized populations of dark and bright states, indicating the presence of a phonon bottleneck in the exciton relaxation process.
Article
Chemistry, Inorganic & Nuclear
Guojun Hu, Ziyue Deng, Yanwei Wang, Dan Yuan, Yong Zhang, Yingming Yao
Summary: A series of rare-earth metal complexes were synthesized and used as efficient initiators for the polymerization of trimethylene carbonate (TMC) and (L)-lactide ((L)-LA).
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Van Ha Nguyen, John H. K. Yip
Summary: In this study, eight PtII-azulene complexes were synthesized to investigate the effect of metalation on the electronic structures, spectroscopy, and luminescence of organic chromophores. The results showed that the attachment of Pt substituents to azulene affected the HOMOs, LUMOs, and luminescence properties. The study provides insights into the role of metalation in modifying the properties of organic chromophores.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Moon Kedia, Virender Singh, Bhaskaran Shankar, Malaichamy Sathiyendiran
Summary: This study synthesized two types of neutral binuclear metallocycles using a one-pot solvothermal method and characterized their structures. The analysis revealed that these complexes adopt a binuclear heteroleptic cyclic architecture and belong to phosphine oxide donor (P=O)-based supramolecular coordination cyclic complexes.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Radhey S. Srivastava
Summary: This study demonstrates the effectiveness of zero-valent elements as reductants for the deoxydehydration reaction of polyols catalyzed by ONO-pincer ligated molybdenum dioxo. The insolubility and easy separability of the reductants and their oxidized products during the reaction are emphasized. Additionally, the choice of ligand has an impact on the catalytic performance of the reaction.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Hao Zhou, Yajun Sun, Li Deng, Weiran Yang, Yuehui Li
Summary: Efficient Ru-catalyzed hydrogenation of aldehydes was achieved using carbazole-derived phosphine ligands, with the crucial role of N-H moiety in promoting the catalytic reaction. The method was successfully applied in the Co/Ru-catalyzed hydroformylation process, resulting in the production of long-chain alcohols with excellent yields.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Theodor Danescu, Alexandru Lupan, Radu Silaghi-Dumitrescu, R. Bruce King
Summary: The structures and energies of complexes containing (Me2C2N2P)2Ru2(CO)n and (Me2C2N2P)2Fe2(CO)n have been studied. Low-energy structures are characterized by the presence of bridging diazaphospholyl rings, while higher-energy structures involve different ligand structures.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Savannah C. Kapper, Aamani Ponnekanti, Jonas Schaab, Tian-yi Li, Christine L. Chung, Gael Ung, Peter I. Djurovich, Mark E. Thompson
Summary: Organometallic iridium complexes with two cyclometalated ligands and one bis-oxazoline derived ancillary ligand were studied. These complexes have emission spanning across the visible and near-ultraviolet region, with moderate to high photoluminescence quantum yields. The (ppy)2Ir(BOX-CN) complexes were resolved into Delta- and Lambda-diastereomers based on solubility differences.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Zahra Karimi Sangari, Hossein Naeimi
Summary: In this research, a nanostructured CoCuFe2O4 catalyst was prepared using a brief and useful synthetic strategy. This catalyst was used for synthesizing 1,2,4,5-tetrasubstituted imidazole derivatives under ultrasonic irradiation. The approach offers advantages such as high efficiency, short reaction times, simplicity of the reaction medium, accelerated reaction rates, and easier separation and purification of products.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rukhsana Gul, Wajid Munir, Ebraheem Abdu Musad Saleh, Shaukat Shujah, Muhammad Sirajuddin, Saira Tabassum, Khalil Ur Rehman, Dilfaraz Khan, Sameerah I. Al-Saeedi, Ehab A. Abdelrahman
Summary: Two new Schiff base ligands were synthesized and used to form copper, nickel, and cobalt complexes. The synthesized compounds were characterized and screened for various biological activities. The metal complexes showed better activities in antibacterial, antifungal, antidiabetic, and antioxidant assays.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Review
Chemistry, Inorganic & Nuclear
Ahsan Nazir, Pengwei Huo, Ameena Tur Rasool
Summary: This review explores the potential of g-C3N4-based S-scheme heterojunctions in addressing environmental issues. It summarizes the mechanism and preparation techniques of S-scheme heterojunctions based on g-C3N4, and presents recent studies on their applications in pollutant removal, CO2 reduction, hydrogen production, and bacterial disinfection. The review concludes with an outlook on future challenges for g-C3N4-based S-scheme heterojunctions.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Francois Mazars, Koffi Senam Etse, Guillermo Zaragoza, Lionel Delaude
Summary: The activity of three Pd-PEPPSI catalyst precursors with N-heterocyclic carbene (NHC) ligands derived from caffeine and theophylline in Mizoroki-Heck reactions was tested. The results showed that the catalysts achieved high conversions and yields, especially in the presence of electron-withdrawing substituents.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Bo-Han Wu, Xue Zhou, Lin Liu, Zheng-Bo Han
Summary: Researching carbon dioxide removal from flue gas and natural gas is crucial. Metal-organic frameworks (MOFs) are commonly used in adsorption due to their high surface area, porosity, and chemical properties. An ultra-microporous MOF CPM-20(Co) with mixed ligand was synthesized using inexpensive ligands. The material exhibited high selectivities and low regenerative energy, making it a promising option for CO2 separation in industries.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)