Article
Chemistry, Inorganic & Nuclear
Qin Wang, Sheng-Hui Lu, Ling-Xi Xu, Ji-Lei Wang, Ya-Ting Yu, Xu Bai, Hua Mei, Yan Xu
Summary: This article reports two lanthanide nanoclusters with rare cage-shaped structure that are successfully designed and constructed under hydrothermal conditions, showing favorable magnetocaloric effects. Crystallographic study reveals the unprecedented cage-shaped configuration formed by aesthetically pleasing triangle-shaped Gd-12 subunit and Gd-16 subunit built separately from four Gd-3 units and four Gd-4 units, respectively. Additionally, the faultlessly anchored C2O42- anions and abundant Gd-III ions contribute to the captivating magnetic entropy change of Gd-28.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Physical
Kaiming Zhu, Zhanglin Chen, Hui Liu, Xin Yi, Yihuan Wang, Junjie Chen, Xuanyi Yuan, Guanghua Liu
Summary: A series of CaAlSiN3:Ln (Ln=Eu, Ce, Dy, Pr, Tb, Gd, Sm, Tm, Nd) phosphors were successfully prepared by combustion synthesis, and their polychromatic visible afterglow emissions were observed. CaAlSiN3:Eu2+ and CaAlSiN3:Ce3+ showed the best red and yellow long persistent luminescence with persistent times of 4980 s and 4860 s, respectively. Eu2+, Ce3+ co-doped CaAlSiN3 exhibited enhanced red long persistent luminescence with a persistent time of 6300 s, attributed to a more appropriate trap depth distribution.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Ravi P. N. Shankar, Fabio Orlandi, Pascal Manuel, Weiguo Zhang, P. Shiv Halaysyamani, A. Sundaresan
Summary: The study investigates the structural, magnetic, and electrical properties of a new family of doubly ordered perovskites NaLnNiWO(6) synthesized under high-pressure and high-temperature conditions. These materials exhibit a unique crystal structure with antiferromagnetic order of Ni2+ ion moments and a polar structure without electric polarization but with dielectric anomalies.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Materials Science, Ceramics
Xiaofeng Zhao, Yuxiang Li, Yuancheng Teng, Hang Liu, Xiayu Zheng, Hongni He, Shanlin Wang, Rajeev Ahuja
Summary: This study investigated the leaching mechanism of Ln in LnPO(4) monazites through experiments and calculations, revealing the relationship between Ln leaching and Ln-O binding energy. By analyzing specific issues using first-principles calculations, the difficulty order of forming a vacancy defect of Ln on the (010) surface was found to be Eu > Sm > Nd, consistent with the leaching stability of Ln in LnPO(4) monazites.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Materials Science, Multidisciplinary
Li Ye Cao, Meng Yang, Le Wang, Yong Li, Bi Xia Gao, Lei Wang, Jia Lun Liu, Ai Fang Fang, You Guo Shi, Rong Yan Chen
Summary: The interaction among nontrivial topology, symmetry breaking orders, and strong electron correlation in LnSbTe compounds leads to a variety of exotic physical phenomena, such as charge-density wave (CDW) orders and the Kondo effect. Optical spectroscopic measurements reveal metallic responses in all four compounds, with varying CDW gaps.
Article
Materials Science, Multidisciplinary
Bei Huang, Wang Zhu, Lizhong Sun, Zengsheng Ma
Summary: In this paper, first-principles calculations are conducted to investigate the properties of rare-earth tantalates Ln3Ta5O15 compounds. The results demonstrate that tetragonal Ln3Ta5O15 compounds have low thermal conductivity, compatible coefficients of thermal expansion, high melting points, excellent mechanical properties, and good thermal shock resistance, making them potential candidates for new thermal barrier coatings.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Inorganic & Nuclear
Gopabandhu Panigrahi, Subhendu Jana, Mohd Ishtiyak, S. Narayanswamy, Pinaki P. Bhattacharjee, K. V. Ramanujachary, Manish K. Niranjan, Jai Prakash
Summary: Three new isostructural quaternary tellurides, Ba(2)Ln(1-x)Mn(2)Te(5) (Ln = Pr, Gd, and Yb), were synthesized by the molten-flux method at 1273 K, and they crystallize in the monoclinic crystal system with partially filled Ln sites. These structures do not contain any homoatomic or metallic bonding.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Xiaoqing Guo, Shuangju Song, Xue Jiang, Jingru Cui, Yunshuai Li, Wenqing Lv, Haiyan Liu, Yuanyuan Han, Liyong Wang
Summary: A room temperature coprecipitation method for synthesizing phosphors was reported, with SiO2 modification increasing emission intensity. Multicolor phosphors were designed by changing lattice activators. The study also demonstrated the development of transparent photoluminescent film and assembly of red emission LED devices with the prepared phosphors.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Yue Jin Shan, Ryo Kawaguchi, Ryoji Akizawa, Keitaro Tezuka
Summary: W-substituted rare-earth niobates with different rare-earth ions (Nd, Sm, Eu, Gd) were synthesized using a solid-state reaction method. The crystal structure of the samples gradually changed from monoclinic fergusonite phase to tetragonal scheelite phase with increasing W substitution. The ionic conductivities of all four rare-earth niobates were improved by W substitution, and the optimum W substitution amount (x) for all samples was 0.2. The activation energy of conductivity remained constant regardless of the rare-earth ion, temperature, and W substitution amount.
Article
Materials Science, Ceramics
Rafael Rubio-Vives, Jose M. Porras-Vazquez, Lucia dos Santos-Gomez, Javier Zamudio-Garcia, Antonia Infantes-Molina, Jesus Canales-Vazquez, David Marrero-Lopez, Enrique R. Losilla
Summary: In this study, ceramics with composition Ln(5.4)MoO(11.1) (Ln = Nd, Sm and Gd) were prepared and their polymorphic forms were investigated by sintering at different rates. X-ray diffraction studies confirmed single-phase materials, with a simple cubic fluorite structure for the quenching-cooled samples. Electron diffraction studies indicated the formation of domains with superstructure ordering. XPS analysis showed the presence of mixed Mo6+ and Mo5+ for all compositions, explaining the electronic conduction in an oxidizing atmosphere.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
Blanka Kubikova, Jarmila Mlynarikova, Oksana Matselko, Eva Miksikova, Zuzana Netriova, Zuzana Vaskova, Miroslav Boca
Summary: Phase equilibria and density of molten systems (LiF-MgF2)(eut)-LnF(3) (Ln = Sm, Gd, Nd) were investigated using thermal analysis and X-ray powder diffraction. The study revealed an increasing concentration dependency in density and molar volume for the investigated molten systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Multidisciplinary
E. Malchukova
Summary: This study investigates the effect of rare earth codoping on the emission ability of aluminoborosilicate glasses. The results show that the luminescence intensity and reduction efficiency of Sm ions exhibit nonlinear behavior with increasing rare earth concentration.
MATERIALS RESEARCH BULLETIN
(2022)
Article
Chemistry, Multidisciplinary
Ekaterina Orlova, Timofei Sorokin, Alexander Pustovit, Egor Baldin, Elena Zakharova, Elena Kharitonova, Nikolay Lyskov, Valentina Utochnikova, Olga Alekseeva, Valentina Voronkova
Summary: Fluorine-containing rare earth compounds of the LiLn(4)Mo(3)O(15)F composition were synthesized using solid-phase synthesis. Luminescence, hygroscopic, and electrophysical characteristics of the LiEu4Mo3O15F phase were studied for the first time. The replacement of europium with lithium and oxygen with fluorine led to a reversible phase transition and a significant increase in conductivity. The size of the Ln cation was found to affect the hygroscopic and conductive properties of LiLn(4)Mo(3)O(15)F compounds.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Riya Bag, Yeasin Sikdar, Pinaki Saha, Prasanta Ghosh, Michael G. B. Drew, Jinkui Tang, Sanchita Goswami
Summary: The article introduces a ligand design strategy with flexible ethanol amine arms, successfully preparing a series of Ni(II)LnIII2 complexes, exploring their structure-property relationships, and discovering a novel Ni-II-Ln(III)-Ln(III) topology.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Joana M. F. Barros, Glauber J. T. Fernandes, Marcio D. S. Araujo, Dulce M. A. Melo, Amanda D. Gondim, Valter J. J. Fernandes Jr, Antonio S. Araujo
Summary: Nanostructured lanthanide-silica materials of the Ln-SiO2 type were synthesized by hydrothermal method using cetyltrimethylammonium as a template. The materials were characterized and their properties were found to be influenced by the incorporation of lanthanides. The stability of the materials at high temperatures demonstrated their potential for adsorption and catalysis applications.
Article
Nanoscience & Nanotechnology
Patrick Stohmann, Sascha Koch, Yang Yang, Christopher David Kaiser, Julian Ehrens, Juergen Schnack, Niklas Biere, Dario Anselmetti, Armin Goelzhaeuser, Xianghui Zhang
Summary: Ultrathin membranes with subnanometer pores for molecular size-selective separation were created through electron-induced cross-linking of self-assembled monolayers (SAMs) on surfaces.
BEILSTEIN JOURNAL OF NANOTECHNOLOGY
(2022)
Article
Physics, Multidisciplinary
Henrik Schlueter, Johannes Richter, Juergen Schnack
Summary: Unconventional features such as plateaus or jumps in the magnetization curve at zero temperature are a characteristic of frustrated spin systems. However, very little is known about their behavior at non-zero temperatures. In this study, we examine the temperature dependence of the magnetization curve of the kagome lattice antiferromagnet, specifically at 1/3 of the saturation magnetization, and observe an asymmetric melting phenomenon. We compare our findings to the square-kagome lattice and find similar behavior at low temperatures but differences at 1/3 of the saturation magnetization.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
(2022)
Article
Chemistry, Inorganic & Nuclear
Dirk Schray, Dennis Westerbeck, Jonas Braun, Yanhua Lan, Silvia Gomez-Coca, Wolfgang Wernsdorfer, Eliseo Ruiz, Christopher E. Anson, Jurgen Schnack, Annie K. Powell
Summary: The synthesis, structural, and magnetic properties of [FeIII4LnIII4(teaH)8(N3)8(H2O)] (Ln = Gd and Y) and its Dy analogue are discussed. The oversimplification of considering both FeIII and GdIII as isotropic ions is shown through magnetic data analysis. The Fe4Gd4 ring exhibits slow magnetization relaxation, and the magnetocaloric properties are well described by density functional theory and the finite-temperature Lanczos method.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Euan K. Brechin, Jurgen Schnack, Marco Evangelisti, Constantinos J. Milios, Thomais G. Tziotzi, David Gracia, Scott J. Dalgarno
Summary: Reaction of Gd(OAc)3 center dot 4H2O, salicylaldehyde, and CH3ONa in MeCN/MeOH leads to the formation of [Gd12Na6(OAc)25(HCO2)5(CO3)6(H2O)12]center dot 9H2O.0.5MeCN (1 center dot 9H2O.0.5MeCN), which exhibits a quadruple-wheel structure composed of two {Na3} and two {Gd6} rings. The magnetic properties of 1 show weak antiferromagnetic interactions between GdIII ions, resulting in a record magnetocaloric effect at low magnetic fields and temperatures. The magnetic entropy change reaches -Delta Sm= 29.3 J kg-1 K-1 for full demagnetization from B = 1 T at T = 0.5 K.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Johannes Richter, Jurgen Schnack
Summary: The spin-1/2 Heisenberg antiferromagnet on the square-kagome (SK) lattice has been a subject of interest in quantum magnetism due to its high frustration. Recent discoveries of SK spin-liquid compounds further motivate theoretical studies of this model. This study investigates the temperature dependence of various thermodynamic properties of the SK antiferromagnet with different strength of nearest-neighbor bonds J1 and J2. The findings reveal different ground states and low-temperature behaviors depending on the ratio of J2/J1.
Article
Physics, Multidisciplinary
Kilian Irlaender, Juergen Schnack
Summary: This article investigates the usability of magnetic molecules as units in future quantum devices. The authors focus on the coherence time of superpositions of low-lying levels, an important prerequisite for quantum computing. Numerical simulations demonstrate that while toroidal magnetic molecules are often conjectured to have advantages, arrangements of tilted anisotropy axes perform best in many cases.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Thomais G. Tziotzi, David Gracia, Scott J. Dalgarno, Juergen Schnack, Marco Evangelisti, Euan K. Brechin, Constantinos J. Milios
Summary: The reaction of Gd(OAc)3 center dot 4H2O, salicylaldehyde, and CH3ONa in MeCN/MeOH yielded [Gd12Na6(OAc)25(HCO2)5(CO3)6(H2O)12]center dot 9H2O.0.5MeCN, which consists of a quadruple-wheel composed of two {Na3} and two {Gd6} rings. The magnetic properties of this compound exhibit weak antiferromagnetic interactions between GdIII ions, resulting in a record magnetocaloric effect at low temperatures and applied magnetic fields. The magnetic entropy change reaches -Delta Sm= 29.3 J kg-1 K-1 for full demagnetization at T = 0.5 K from B = 1 T.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Emily H. Payne, Lucinda R. B. Wilson, Mukesh K. Singh, Gary S. Nichol, J. R. Stewart, V. Garcia-Sakai, R. A. Ewings, Harry Lane, Juergen Schnack, Chris Stock, Euan K. Brechin
Summary: In a basic MeOH solution, the solvothermal reaction of Ni(ClO4)(2)center dot 6H(2)O with hmpH and picH leads to the formation of [Ni-7(hmp)(7.55)(pic)(4.45)](ClO4)(2)center dot 6MeOH (1 center dot 6MeOH) directly upon cooling the mother liquor. Magnetic measurements and DFT calculations reveal the characteristics of the metallic skeleton of compound 1.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Materials Science, Multidisciplinary
Florian Johannesmann, Jannis Eckseler, Henrik Schlueter, Juergen Schnack
Summary: We investigate the one-magnon dynamics of the antiferromagnetic delta chain, which serves as a paradigmatic example of tunable equilibration. Depending on the ratio of nearest and next-nearest exchange interactions, the spin system exhibits either a flat band or dispersive bands, and we provide analytical and numerical insight into this phenomenon.
Correction
Materials Science, Multidisciplinary
Dennis Westerbeck, Oliver Hanebaum, Juergen Schnack
Article
Chemistry, Multidisciplinary
Eleftheria Agapaki, Mukesh K. Singh, Angelos B. Canaj, Gary S. Nichol, Juergen Schnack, Euan K. Brechin
Summary: The sentence describes a complex compound with an aesthetically pleasing wheel-like structure, exhibiting ferromagnetic nearest neighbour exchange.
CHEMICAL COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Johannes Richter, Oleg Derzhko, Juergen Schnack
Summary: Over the last decade, the interest in the spin-1/2 Heisenberg antiferromagnet (HAF) on the square kagome lattice has been growing. This model system is a prominent example of quantum magnetism with a quantum paramagnetic ground state, flat-band physics near the saturation field, and quantum scars. Recent numerical investigations have revealed a gapless spin liquid in the square kagome magnet. The study also provides insights into specific heat, entropy, and susceptibility, revealing low-temperature shoulder below the major maximum and a change in curvature just at a specific temperature, attributed to low-lying singlet excitations and the singlet-triplet gap.
Article
Chemistry, Inorganic & Nuclear
Daniel J. Cutler, Marco Coletta, Mukesh K. Singh, Angelos B. Canaj, Laura J. McCormick, Simon J. Coles, Jurgen Schnack, Euan K. Brechin
Summary: The [Fe-8(III)] hexagonal bipyramid exhibits antiferromagnetic exchange between the two capping tetrahedral ions and the six ring octahedral ions resulting in a spin ground state of S = 10.
DALTON TRANSACTIONS
(2022)
Article
Materials Science, Multidisciplinary
Johannes Richter, Vadim Ohanyan, Joerg Schulenburg, Juergen Schnack
Summary: The J(1)-J(2) quantum spin sawtooth chain is a one-dimensional frustrated quantum spin system that exhibits unconventional ground-state and finite-temperature properties. By applying an appropriate electric field, the system can be driven into a flat-band scenario, overcoming the restriction of fine-tuned exchange couplings and allowing for enhanced magnetocaloric effects. This interaction between electric field and spins via the Katsura-Nagaosa-Balatsky mechanism results in strong magnetoelectric effects and enhanced electrocaloric effects.
Article
Materials Science, Multidisciplinary
Jozef Strecka, Taras Verkholyak, Johannes Richter, Katarina Karl, Oleg Derzhko, Jurgen Schnack
Summary: It is demonstrated that effective lattice-gas models can accurately describe the low-temperature features of spin-1/2 Heisenberg diamond and octahedral chains. These models include monomeric and dimeric particles, and their validity is confirmed through exact diagonalization and finite-temperature Lanczos methods. Both quantum spin chains exhibit diverse ground-state phase diagrams, including discontinuous and continuous phase transitions.
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
