Article
Geochemistry & Geophysics
Yukinori Tani, Tingting Wu, Takumi Shirakura, Kazuhiro Umezawa, Naoyuki Miyata
Summary: This study found that BMOs formed by Mn(II)-oxidizing fungus can sequester V(V), Mo(VI), and W(VI), with V(V) showing inhibitory effects on growth and oxidation ability. The ongoing formation of BMOs demonstrated a higher sequestration capacity when absorbing oxyanions. X-ray diffraction revealed a decline in the peak from turbostratic birnessite with increasing sequestration capacity.
Article
Chemistry, Physical
P. Manojkumar, C. Premchand, E. Lokeshkumar, C. Subrahmanyam, A. Viswanathan, L. Rama Krishna, N. Rameshbabu
Summary: In this study, a W-Mo/Mo-V/V-W co-doped TiO2 photocatalyst was successfully prepared via one-step Plasma Electrolytic Oxidation (PEO) process for effective degradation of MB dye under sunlight irradiation. The co-doped photocatalysts exhibited enhanced light absorption, charge separation, and photocurrent generation, with sample MV showing the highest photocatalytic efficiency. This immobilized co-doped photocatalyst developed by the PEO process holds promise for textile wastewater treatment applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Maxime Boudjelel, Feng Zhai, Richard R. Schrock, Amir H. Hoveyda, Charlene Tsay
Summary: The molybdenum and tungsten oxo 2-adamantylidene complexes were prepared by adding 2-methylene- or 2-ethylideneadamantane to neophylidene or neopentylidene complexes. The tungsten complex 2(w) is a thermally stable dimer with unsymmetrically bridging oxo ligands, while the molybdenum complex 2(Mo) is a stable monomer. These complexes are reactive olefin metathesis initiators with dimers 5(Mo) and 5(w) being relatively poor initiators.
Article
Chemistry, Inorganic & Nuclear
Ning Zhang, Shan He, Yongli Li, Qiuju Zhou, Dewen Zeng, Zhongwei Zhao, Jun Yan, Jianrong Zeng, Glenn Hefter
Summary: The research on the solution chemistry of Mo(VI) and W(VI) in mixtures of sulfuric and phosphoric acids using various spectroscopic techniques revealed differences in their chemical speciation under different solution conditions, providing theoretical basis for the recovery and separation of these elements from low-grade scheelite ores.
INORGANIC CHEMISTRY
(2021)
Article
Engineering, Environmental
Wenjuan Wang, Yanfang Huang, Guihong Han, Bingbing Liu, Shengpeng Su, Yizhuang Wang, Yubin Xue
Summary: Fe-MOF material was prepared and used as an adsorbent to remove P(V), Mo(VI) and W(VI) oxyanions from hydrometallurgical waste liquid. The adsorption process was found to be pH-independent and the efficiency was dependent on the chemical species of oxyanions. The Fe-MOFs showed potential for treating waste liquids in the hydrometallurgical industry due to their properties of abundant binding sites and high stability.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Zixian Jiao, Osvaldo Medina Mireles, Kevin Ensz, Fei Wang, Mingli Liang, P. Shiv Halasyamani, Bingbing Zhang, D. Paul. Rillema, Jian Wang
Summary: Five types of heteroanionic oxybromides were successfully synthesized and their crystal structures were determined. LaBrWO4 is the first acentric tungsten-containing compound in the REBrVIO(4) system. The bonding picture of LaBrWO4 was understood through calculations and analysis, confirming its unique structure. The optical properties of these compounds, including second harmonic generation and photoluminescent properties, were investigated. Doping with rare earth elements enhanced the nonlinear optical and photoluminescent properties of LaBrWO4.
CHEMISTRY OF MATERIALS
(2023)
Article
Materials Science, Ceramics
Xiao-Hui Yang, Guo-Hua Zhang
Summary: Ultrafine boride powders including (W,Mo)B, (W,Mo)B2.5 and (Mo,W)AlB were successfully fabricated, and the effects of Mo/W ratio on the morphology of boride solid solution composite powder were investigated. The results showed that in Ca melt, the boride grains grew following a template growth mechanism and maintained the spherical morphology of the ultrafine solid solution powder, while in Al melt, dissolution-precipitation led to the formation of flaky and short rod-shaped borides.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Ceramics
Chunhao Wang, Shuai Zhang, Shi Ye
Summary: This study reveals three structural factors affecting the luminescent thermal quenching of Eu3+ in molybdatetungstate phosphors, with the charge transfer state (CTS) energy level playing a major role. Phosphors suitable for near-ultraviolet excitable white light-emitting diodes (NUV-WLEDs) should exhibit thermally stable luminescence and effective absorption in the NUV region. Eu3+-doped molybdate-tungstate phosphors with MoO66 groups are potential candidates for NUV-WLEDs, but they may exhibit poor thermal quenching of Eu3+ luminescence.
CERAMICS INTERNATIONAL
(2021)
Article
Materials Science, Multidisciplinary
M. J. Phasha, A. S. Bolokang, M. A. Kebede
Summary: DFT-based first-principles calculations were used to investigate the crystal structure, binding energy, phase stability and elastic properties of BCC W-based binary solid solutions. The study assessed the effect of alloying on ductility and hardness, highlighting the importance of balancing Pugh's modulus ratio and elastic anisotropy for maintaining high hardness without compromising ductility. The predicted property trends agreed with existing theoretical and experimental data, indicating the reliability of the VCA approach in alloy development.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2021)
Article
Chemistry, Physical
Anuvasita Parikh, Santosh Kumar Mishra, Vimal Kumar Madduluri, Parmeshthi Parikh, Krishnan Rangan, Ajay K. Sah
Summary: A new glucopyranosylamine-derived ditopic ligand and its coordinatively flexible dinuclear octahedral molybdenum complex has been synthesized. The coordination polymer was obtained through recrystallization, and both solution-state and solid-state studies supported its polymeric nature. This study provides the first report on the polymeric molybdenum complex of glucopyranosylamine-derived ligand.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Review
Environmental Sciences
Guangmin Ren, Zixuan Wei, Sitong Liu, Meng Shi, Zizhen Li, Xiangchao Meng
Summary: This review comprehensively describes the basic principles and reaction pathways of photocatalytic CO2 reduction, as well as the research progress of BixMOy catalysts in CO2 conversion reactions. The design concepts and modification strategies to improve the photocatalytic CO2 reduction activity of BixMOy are further discussed. This review provides updated information and insights for developing advanced BixMOy materials to further improve CO2 reduction activity and selectivity.
Article
Chemistry, Applied
Nadine Menning, Alfons Drochner, Bastian Etzold, Herbert Vogel
Summary: The partial oxidation of acrolein and methacrolein on Mo/V/W-mixed oxides was studied by transient kinetic investigation, revealing that lower reaction rates with methacrolein were caused by the formation of coke deposits on the catalyst surface. Temperature programmed reactions showed a shift to higher temperatures when both aldehydes were present simultaneously, with increased selectivity to methacrylic acid.
Article
Chemistry, Physical
Mojtaba Komeili, Hadi Arabi, Faiz Pourarian
Summary: In this study, three high entropy alloys were designed and synthesized, and their hydrogen absorption properties were investigated. The hydrogen absorption capacity decreased and the absorption rate increased by substituting Cr atoms in the alloy. The rate-controlling step of hydrogen absorption changed as well.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Ceramics
David Medved', Michal Ivor, Alexandra Kovalcikova, Erika Mudra, Tamas Csanadi, Richard Sedlak, Hakan Unsal, Peter Tatarko, Monika Tatarkova, Pavol Sajgalik, Jan Dusza
Summary: The wear characteristics of a high-entropy carbide were studied using a ball-on-flat technique. The wear behavior showed that the friction coefficient and specific wear rate increased with increasing load, and the dominant wear mechanism was identified as mechanical wear.
INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Andreas Kretschmer, Tomasz Wojcik, Roman Schuster, Kumar Yalamanchili, Helmut Rudigier, Paul Heinz Mayrhofer
Summary: This study investigated the sputtering conditions and hardness variations of nitride coatings in different atmospheres, revealing changes in hardness values during vacuum annealing due to the influence of chemical composition.
MATERIALS & DESIGN
(2022)
Article
Chemistry, Physical
Barbora Filova, Lenka Musilova, Ales Mracek, M. Luisa Ramos, Luis M. P. Verissimo, Artur J. M. Valente, Ana C. F. Ribeiro
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Physical
M. L. Ramos, D. C. Dias, L. L. G. Justino, L. M. P. Verissimo, A. J. M. Valente, M. A. Esteso, A. C. F. Ribeiro, D. G. Leaist, J. Pina, A. M. T. D. P. Cabral, M. M. Rodrigo
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Physical
Maria Mendes, Tania Cova, Joao Basso, M. Luisa Ramos, Rui Vitorino, Joao Sousa, Alberto Pais, Carla Vitorino
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Inorganic & Nuclear
Reza Golbedaghi, Licinia L. G. Justino, Marzyeh Bahrampour, Rui Fausto
Summary: New hexadentate chelates, H2L1 and L-1, were synthesized and characterized in this study. H2L1 was found to be a highly selective novel fluorescence chemosensor for Cu2+ cation, showing more than 98% fluorescence quenching in its presence. The quenching mechanism was attributed to ligand to metal charge transfer transitions in the complex formed between Cu2+ and the amine ligand, as revealed by TD-DFT calculations.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Analytical
Joao Basso, Maria Luisa Ramos, Alberto Pais, Rui Vitorino, Ana Fortuna, Carla Vitorino
Summary: The article presents an AQbD approach for the development and validation of an HPLC method for quantifying disulfiram and copper diethyldithiocarbamate in lipid nanoparticles. By analyzing CMPs and using experimental design, the optimal method was validated and found to be suitable for analysis using different columns and equipment. Overall, the strategies under AQbD framework provided an effective and flexible method for routine analysis in research or industrial settings.
Article
Chemistry, Inorganic & Nuclear
Reza Golbedaghi, Licinia L. G. Justino, Farkhondeh Ooshall, Saeeid Jamehbozorgi, Mehdi Abdolmaleki, Rui Fausto
Summary: A new Schiff base fluorescence probe for Cu2+ was designed and synthesized, showing high selectivity for Cu2+ and a 1:1 stoichiometry in the formed complex. The fluorescence of the probe is quenched in the presence of Cu2+.
INORGANICA CHIMICA ACTA
(2021)
Article
Chemistry, Physical
Gulce Ogruc Ildiz, Andreia M. Tabanez, Antonio Nunes, Jose P. L. Roque, Licinia L. G. Justino, M. Luisa Ramos, Rui Fausto
Summary: A comprehensive study on the molecular structure, spectroscopy, and photochemistry of alprazolam was conducted, indicating that alprazolam is photostable under certain experimental conditions.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Multidisciplinary
Telma Costa, Matti Knaapila, Beverly Stewart, M. Luisa Ramos, Licinia. L. G. Justino, Artur J. M. Valente, Robert Dalgliesh, Sarah E. Rogers, Mario Kraft, Sybille Allard, Ullrich Scherf, Hugh D. Burrows
Summary: This study reports the synthesis of a new conjugated polymer containing crown ether moieties and investigates the effect of surfactants on polymer-polymer aggregates. The presence of sodium dodecyl sulfate (SDS) disrupts the aggregates and enhances the photoluminescence quantum yields.
Article
Chemistry, Physical
Anna Luiza B. Brito, Licinia L. G. Justino, Berna Catikkas, Susy Lopes, Gulce O. Ildiz, Rui Fausto
Summary: This study investigated the molecular structure, conformational space, and UV-induced reactions of 2-aminoacetanilide (2AA) using matrix isolation infrared spectroscopy and quantum chemical calculations. It was found that 2AA exists in four conformers, with the trans-amide conformer undergoing selective conversion upon UV irradiation. The results provide important insights into the molecular structure and photochemical reaction mechanisms.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Crystallography
Maxim Ivanov, Arkadiusz Grempka, Arseniy Buryakov, Timur Nikitin, Licinia L. G. Justino, Rui Fausto, Paula M. Vilarinho, Jose A. Paixao
Summary: In this study, millimeter-sized single crystals of the molecular erbium(III) complex Er(acac)(3)(cphen) were successfully synthesized and their polar and electronic properties were examined at macro-, micro-, and nanoscale levels. The synthesized samples showed a monoclinic crystallographic structure with terrace-ledge surface morphology. The polar properties and hyperpolarizability were found to be related to the internal domain structure framed by the characteristic terrace-ledge topography. The results of this study are important for the application of molecular erbium(III) complex crystals in low-magnitude magnetic or electric field devices.
Article
Chemistry, Inorganic & Nuclear
M. Luisa Ramos, Licinia L. G. Justino, Rui Barata, Telma Costa, Hugh D. Burrows
Summary: The study extends the complexation of 8-HQS to In(iii) metal ion using NMR, DFT calculations, UV-vis absorption, and luminescence techniques, showing marked differences in complexation behavior compared to Al(iii) and Ga(iii).
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)
