Article
Chemistry, Inorganic & Nuclear
Andries van Hattem, John Vlieland, Robert Dankelman, Michel A. Thijs, Gilles Wallez, Kathy Dardenne, Joerg Rothe, Rudy J. M. Konings, Anna L. Smith
Summary: The synthesis and structure of Cs2Pb(MoO4)(2) were studied using X-ray and neutron diffraction, while thermal expansion was investigated. The crystal structure of the high-temperature phase beta-Cs2Pb(MoO4)(2) was determined, and it was found to have a palmierite structure. The oxidation state of Mo in the low-temperature phase alpha-Cs2Pb(MoO4)(2) was analyzed using X-ray absorption near-edge structure spectroscopy. Phase equilibria measurements were performed in the Cs2MoO4-PbMoO4 system, leading to a proposed equilibrium phase diagram.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Svetlana M. Posokhova, Vladimir A. Morozov, Kirill N. Boldyrev, Dina Deyneko, Erzhena T. Pavlova, Bogdan I. Lazoryak
Summary: This study explores the impact of synthesis method and composition on the structure and luminescence properties of K5Eu1-xHox(MoO4)4 with the palmierite-type matrix. The co-doping of Eu3+ and Ho3+ ions plays a critical role in manipulating charge transfer and luminescence efficiency in the visible and infrared regions.
Article
Chemistry, Physical
Victoria G. Grossman, Maxim S. Molokeev, Bair G. Bazarov, Jibzema G. Bazarova
Summary: New triple molybdates M5CrHf(MoO4)6 (M = K, Tl) and TlCrHf0.5(MoO4)3 were discovered in the ternary molybdate systems M2MoO4-Cr2(MoO4)3-Hf(MoO4)2 (M = K, Tl) in the subsolidus region. The crystal structures were refined and their thermal stability and electrical conductivity were investigated, showing high values for the former and relatively low values for the latter.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Manel Sonni, Mohamed Faouzi Zid, El Kebir Hlil, Kader Zaidat, Cecile Rossignol, Said Obbade
Summary: The novel bi-molybdate beta-Li0.87Na0.13Cr(MoO4)(2) was synthesized by solid state reaction. Its triclinic crystal structure, high electrical conductivity, and magnetic properties were characterized. Impedance spectroscopy revealed that ionic conductivity is influenced by diffusion pathways of Li+ ions in the crystal structure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Ceramics
S. Delice, M. Isik, N. M. Gasanly, N. H. Darvishov, V. E. Bagiev
Summary: LiGd(MoO4)2 crystal was investigated for its structural and temperature dependent optical properties, showing potential for optoelectronic applications and development of light-emitting diodes. The crystal exhibited a single phase tetragonal structure with six distinguishable peaks corresponding to vibrational modes of (MoO4)2 tetrahedron. Infrared transmittance spectrum indicated multiphonon absorptions, and the temperature dependent transmittance curves were used to determine the band gap and its temperature dependence. Room temperature photoluminescence spectrum demonstrated red light emission, making LiGd(MoO4)2 a potential candidate for optoelectronic devices emitting red light.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Raagya Arora, Umesh Waghmare, C. N. R. Rao
Summary: This study investigates various 2D lattices of Group IV chalcogenides to understand the nature of metavalent bonding (MVB). It is found that honeycomb lattices adhere to the 8-N rule and exhibit covalent bonding, while square and orthorhombic structures display in-plane MVB driven by p-p orbital interactions, with cationic lone pairs inducing out-of-plane puckering.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Martin Moebs, David A. Dixon, Gabriel F. de Melo, Monica Vasiliu, Tim Graubner, Karl O. Christe, Florian Kraus
Summary: The purely chemical synthesis of fluorine, previously believed to be impossible, was achieved in 1986 but has not been further studied since then. The mechanism of this reaction has been a mystery until recently, when it was experimentally resolved and supported by electronic structure calculations. These findings clarified the previous discrepancy and showed that the reductive elimination of F-2 requires a large excess of SbF5, occurring in the last reaction step.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Vladimir A. Morozov, Svetlana M. Posokhova, Sergey Ya Istomin, Dina Deyneko, Aleksandra A. Savina, Boris S. Redkin, Nikolay Lyskov, Dmitry A. Spassky, Alexei A. Belik, Bogdan Lazoryak
Summary: The influence of different synthesis routes on the structure and luminescent properties of KTb(MoO4)(2) (KTMO) was investigated, with the hydrothermal method leading to stable structure without phase transitions. The orthorhombic KTMO crystals prepared by different methods showed variations in crystallite size and K+ cation migration. The luminescent properties of KTMO were affected by synthesis routes, heating and cooling conditions, with emission spectra revealing a strong green emission due to specific Tb3+ transitions.
INORGANIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Wai-Yim Ching, Puja Adhikari, Bahaa Jawad, Rudolf Podgornik
Summary: The study conducted ab initio computation on the spike protein of the SARS-CoV-2 virus, dividing it into seven structural domains and analyzing their interactions. Results include discussions on the role of hydrogen bond network, interatomic bonding, and insights into crucial hinge-like movement and fusion process among the structural domains.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Ivan da Silva, Gerardo Gil de Cos, Cristina Gonzalez-Silgo, Javier Lopez-Solano, Andres Mujica, Nivaria R. Ramirez-Rodriguez, Manuel E. Torres
Summary: Solid-state synthesis and phase transitions of RE2(MoO4)3 samples were monitored using X-ray thermodiffraction. The formation of intermediate phases and their coexistence were explained through common structural motifs. Heating-cooling cycles revealed the reversible and reconstructive phase transition. The research highlights the importance of directed and rational synthesis for materials enrichment.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Ivan da Silva, Gerardo Gil de Cos, Cristina Gonzalez-Silgo, Javier Lopez-Solano, Andres Mujica, Nivaria R. Ramirez-Rodriguez, Manuel E. Torres
Summary: The solid-state synthesis and phase transitions of RE2(MoO4)3 (RE equivalent to Nd, Sm, Eu, and Gd) samples were investigated using X-ray thermodiffraction with synchrotron radiation. The formation and coexistence of intermediate phases were explained by common structural motifs. The reversible and reconstructive alpha [La2(MoO4)3] <-> beta phase transition was observed, clarifying previous controversies.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Ivan da Silva, Gerardo Gil de Cos, Cristina Gonzalez-Silgo, Javier Lopez-Solano, Andres Mujica, Nivaria R. Ramirez-Rodriguez, Manuel E. Torres
Summary: The solid-state synthesis and phase transitions of RE2(MoO4)3 samples (RE equivalent to Nd, Sm, Eu, and Gd) were studied using X-ray thermodiffraction with synchrotron radiation. The formation and coexistence of intermediate phases were explained by common structural motifs and unit cell volumes per atom. The reversible and reconstructive alpha <-> beta phase transition was observed, clarifying controversy in literature. The research highlights the importance of directed and rational synthesis in enriching materials with new or improved properties.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
S. K. Mitro, K. M. Hossain, R. Majumder, Md Zahid Hasan
Summary: In this study, the negative chemical pressure effect on the SrMoO3 molybdate system was demonstrated for the first time using a substitution strategy based on density functional theory (DFT). It was observed that by controlling doping content and introducing higher ionic Barium (Ba) to the lower ionic Strontium (Sr) site, band structure (BS) could be controlled effectively. The study also showed correlations among BS, covalency strength, and negative chemical pressure, as well as the impact on elastic, mechanical properties, and anisotropy of the system.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Xiuyu Wang, Zhinan Qi, Tao Tao, Binxin Leng, Wen Xu, Jiajun Ma, Mingming Wang
Summary: Pure Sn(MoO4)(2) nano-sized particles and Ni-doped samples were synthesized by co-precipitation method, showing high ethanol sensitivity after thermal treatment. Ni doping can further improve the ethanol sensitivity, possibly due to the crystalline structure and the role of Ni.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Condensed Matter
Yury M. Basalaev, Alexey B. Gordienko
Summary: Ab initio pseudopotential calculations were performed on the tetragonal MgPbP2 crystal with chalcopyrite structure. The results reveal that MgPbP2 is a direct-gap semiconductor with a bandgap of approximately 0.90 eV, and it exhibits a mixed type of chemical bonding.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2022)
Article
Chemistry, Physical
Yingze Zhu, Xuesong Wang, Jianwei Qiao, Maxim S. Molokeev, Hendrik C. Swart, Lixin Ning, Zhiguo Xia
Summary: To promote the development of NIR light sources, the researchers discovered a novel Eu2+-activated broadband NIR-emitting phosphor and investigated its design principles and mechanism using density functional theory calculations. The results showed that with an increase in the Ba/Sr atomic ratio, the emission band of Eu2+ red-shifted and the FWHM enlarged. The application of NIR phosphor-converted LEDs was demonstrated, indicating their potential in night-vision technology.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Xuejiao Wang, Xiaowen Feng, Maxim S. Molokeev, Huiling Zheng, Qiushi Wang, Chunyan Xu, Ji-Guang Li
Summary: In this study, broadband emissions from (Lu0.99-xGdxBi0.01)(2)WO6 phosphors were obtained and modulated by varying the Gd3+ content. The effects of Gd3+ doping on various properties were investigated, and it was found that the emission intensity of the broadband green emission was enhanced by 50% with 5 at% Gd3+ doping. The phase transition and the broadband red-NIR emission were observed at higher Gd3+ contents. The obtained phosphors were used to fabricate high color rendering index pc-WLED and LED devices emitting white light and NIR light simultaneously, as well as for night vision and noninvasive imaging applications.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Multidisciplinary
N. G. Korobeishchikov, I. V. Nikolaev, V. V. Atuchin, I. P. Prosvirin, A. V. Kapishnikov, A. Tolstogouzov, D. J. Fu
Summary: The damage caused by gas cluster ion bombardment on the surface of inorganic single crystals is still unresolved. In this study, the influence of the kinetic energy per atom in the clusters (E/N) on the physicochemical structure of KGd(WO4)2:Nd single crystals was evaluated using XPS, Raman spectroscopy, and XRD techniques. The results showed that high-energy mode with E/N of about 100 eV provides sufficient sputtering efficiency, while low-energy mode with a few eV energy causes minimal surface damage. The subsurface crystal structure remained undamaged after cluster bombardment, but an unexpected increase in relative concentration of O atoms by 12% and depletion of K atoms by a factor of 2 was detected in the subsurface layer of KGd(WO4)2:Nd crystals. The surface sputtering features of inorganic single crystals at different E/N modes are discussed.
MATERIALS RESEARCH BULLETIN
(2023)
Review
Biochemistry & Molecular Biology
Elvira V. Sobolevskaya, Oleg A. Shumkov, Mikhail A. Smagin, Andrey E. Guskov, Alexandra V. Malysheva, Victor V. Atuchin, Vadim V. Nimaev
Summary: Chronic obliterating lesions of the arteries of lower extremities, caused by atherosclerosis, lead to chronic ischemia and increase the risk of limb loss and cardiovascular mortality. Percutaneous transluminal balloon angioplasty is a minimally invasive approach for limb revascularization, but restenosis is still possible. Early detection of molecular changes as markers of restenosis can help identify at-risk patients and find ways to inhibit this process.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Nicolay N. Golovnev, Marina A. Gerasimova, Ivan A. Ostapenko, Andrey O. Zolotov, Maxim S. Molokeev
Summary: Luminescent compounds (C5H13N2S)2[MnBr4] and (C7H17N2S)2[MnBr4] were synthesized by solvothermal method and their structures were analyzed by X-ray single crystal diffraction. These compounds exhibit green emission with high photoluminescence quantum yield. They show potential applications in photonics.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Spectroscopy
Yuliya V. Shchapova, Alexander S. Krylov, Sergei L. Votyakov
Summary: The structure and stresses of the amorphous fraction in radiation-damaged ZrSiO:U,Th zircon were studied using Raman spectroscopy. The Boson peak associated with localized phonon states was observed at low temperatures for samples with low amorphous fraction and over the entire temperature range for samples with high amorphous fraction. The wider distribution of localized states in samples with high amorphous fraction indicates an evolution in the amorphous phase structure with increasing radiation dose. The obtained data are important for predicting the thermal and mechanical properties of radiation-damaged materials and nanocomposites.
JOURNAL OF RAMAN SPECTROSCOPY
(2023)
Article
Chemistry, Inorganic & Nuclear
M. U. Abulkhaev, M. S. Molokeev, A. S. Oreshonkov, A. S. Aleksandrovsky, A. V. Kertman, D. N. Kamaev, O. V. Trofimova, A. V. Elyshev, O. V. Andreev
Summary: The objectives of this study include refining the phase diagram of the GdF3-Gd2S3 system, calculating their liquidus, and synthesizing GdSF to study its properties. GdSF compound has a direct optical bandgap of 2.77 eV and indirect bandgaps of 1.54 and 2.4 eV. The convergence of the liquidus of the system was achieved through a combination of experimental absorption spectrum and computational methods using the Redlich-Kister equation.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Victoria Grossman, Victor Atuchin, Bair G. Bazarov, Aleksandr Aleksandrovsky, Evgeniy Eremin, Alexander Krylov, Natalia Kuratieva, Jibzema G. Bazarova, Nikolai Maximov, Maxim Molokeev, Aleksandr Oreshonkov, Natalia Pervukhina, Nikolay Shestakov
Summary: A new multicationic structurally disordered K5FeHf(MoO4)(6) crystal belonging to the molybdate family is synthesized and its electronic and vibrational properties are characterized. The vibrational spectra are dominated by the MoO4 tetrahedra vibrations, while the lattice modes are observed in a low-wavenumber part of the spectra. The compound exhibits paramagnetic behavior with dominant antiferromagnetic interactions and has direct and indirect optical bandgaps of 2.97 and 3.21 eV, respectively. The narrowing of the bandgap is explained by the presence of Mott-Hubbard optical excitation in the system of Fe3+ ions.
Article
Chemistry, Physical
Maxim V. Grigoriev, Anna V. Ruseikina, Vladimir A. Chernyshev, Aleksandr S. Oreshonkov, Alexander A. Garmonov, Maxim S. Molokeev, Ralf J. C. Locke, Andrey V. Elyshev, Thomas Schleid
Summary: EuScCuSe3 crystal was synthesized for the first time using cesium-iodide flux, and its crystal structure and stability were investigated using density functional methods. The crystal belongs to the orthorhombic system and can be assigned as an indirect wide-band gap semiconductor. Furthermore, it exhibits soft ferromagnetic properties at temperatures below 2 K.
Article
Chemistry, Multidisciplinary
Demid S. Abramkin, Mikhail O. Petrushkov, Dmitrii B. Bogomolov, Eugeny A. Emelyanov, Mikhail Yu. Yesin, Andrey V. Vasev, Alexey A. Bloshkin, Eugeny S. Koptev, Mikhail A. Putyato, Victor V. Atuchin, Valery V. Preobrazhenskii
Summary: In this study, the formation, structural properties, and energy spectrum of self-assembled GaSb/AlP quantum dots (SAQDs) were investigated. The growth conditions for SAQDs were determined on both GaP and GaP/Si substrates. The relaxation of strain in SAQDs on GaP/Si substrates did not affect the luminescence efficiency, while the introduction of dislocations in GaP-based SAQDs led to a quenching of luminescence. The energy spectrum of GaP/Si-based SAQDs was found to be of type II with an indirect bandgap.
Article
Chemistry, Inorganic & Nuclear
Ksenia A. Nadeina, Sergey V. Budukva, Yuliya V. Vatutina, Polina P. Mukhacheva, Evgeniy Yu. Gerasimov, Vera P. Pakharukova, Igor P. Prosvirin, Tatyana V. Larina, Oleg V. Klimov, Aleksandr S. Noskov, Victor V. Atuchin
Summary: Among the known synthesis procedures and reagents for unsupported Ni-Mo-W catalysts, there is no consensus about optimal preparation conditions. In this study, Ni-Mo-W precursors were prepared via three different techniques and characterized. The catalytic activity was found to be significantly higher when all active metals are available in a mixed phase. The catalyst prepared by the spray drying method showed the highest activity.
Article
Physics, Multidisciplinary
E. M. Moshkina, N. A. Belskaya, M. S. Molokeev, A. F. Bovina, K. A. Shabanova, D. Kokh, Yu. V. Seretkin, D. A. Velikanov, E. V. Eremin, A. S. Krylov, L. N. Bezmaternykh
Summary: Copper oxyborate single crystals with a ludwigite structure, Cu2MBO5 (M = Cr, Fe, Mn), have been grown using Bi2O3-MoO3-Na2O-B2O3 fluxes, and the structural properties of grown compounds have been compared using X-ray diffraction and Raman spectroscopy methods. Additionally, these methods have been used to determine the degree of cationic ordering in these ludwigites. The temperature and field dependences of the Cu2MBO5 (M = Cr, Fe, Mn) ludwigite magnetization are also presented.
JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Evgeniya Moshkina, Yurii Seryotkin, Oleg Bayukov, Maxim Molokeev, Dieter Kokh, Ekaterina Smorodina, Alexander Krylov, Leonard Bezmaternykh
Summary: In this study, the mutual influence between the solvent and soluble in multicomponent fluxes based on Bi2O3-MoO3-B2O3-Na2O was investigated. The crystallization of the triple oxides of the transition metals (Mn,Fe,Ga)(2)O-3, specifically the phases based on orthorhombic FeGaO3 and bixbyite FeMnO3, was studied. Different fluxes were analyzed based on variations in component ratios, and their crucial role at phase boundaries was considered. The stable growth of (Mn,Fe,Ga)(2)O-3 single crystals was determined, and a set of single crystal samples with different ratios was obtained. The composition, structure, and distribution of cations in the samples were characterized using various techniques.
Article
Chemistry, Physical
Alexander S. Krylov, Svetlana N. Krylova, Alexander N. Vtyurin, Eugene M. Roginskii, Li Jin, Ye Tian, Xiaoyong Wei
Summary: The temperature behavior of 0.955 AgNbO3-0.045 LiTaO3 and AgNbO3 ceramics was investigated using Raman spectroscopy in the temperature range from 10 to 415 K. Ab initio calculations were conducted to interpret the Raman spectra of AgNbO3 in the Pmc2(1) phase using three potentials (A-PZ, PBE, and PBEsol). The peculiarities in the Raman spectra of AgNbO3 ceramics were observed and explained. The differences in the spectra between 0.955 AgNbO3-0.045 LiTaO3 and AgNbO3 ceramics were demonstrated, and the temperature of structural changes in both ceramics were discussed.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
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)