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Dodecanuclear {Co10Ln2} metallorings EI SCIE
期刊论文 | 2021 , 516 | Inorganica Chimica Acta
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GB/T 7714 Chen, Weipeng , Han, Tian , Zheng, Yanzhen . Dodecanuclear {Co10Ln2} metallorings [J]. | Inorganica Chimica Acta , 2021 , 516 .
MLA Chen, Weipeng 等. "Dodecanuclear {Co10Ln2} metallorings" . | Inorganica Chimica Acta 516 (2021) .
APA Chen, Weipeng , Han, Tian , Zheng, Yanzhen . Dodecanuclear {Co10Ln2} metallorings . | Inorganica Chimica Acta , 2021 , 516 .
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Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response EI SCIE
期刊论文 | 2021 , 23 (9) , 1881-1884 | CrystEngComm
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By using a photosensitizer [Ru(bpy)3]2+as a template, a rare example of a three-dimensional Sn-Se type anionic framework, formulated as {Ru(bpy)3@[Sn4Se9]}n1(bpy = 2,2′-bipyridine), has been synthesized, and shows evident photocurrent response in the visible light region and related semiconducting behavior. © The Royal Society of Chemistry 2021.

Keyword :

Photocurrents Light Ruthenium compounds Tin compounds Photosensitizers Selenium compounds

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GB/T 7714 Zhang, Tao , Hu, Yue-Qiao , Li, Qian-Wen et al. Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response [J]. | CrystEngComm , 2021 , 23 (9) : 1881-1884 .
MLA Zhang, Tao et al. "Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response" . | CrystEngComm 23 . 9 (2021) : 1881-1884 .
APA Zhang, Tao , Hu, Yue-Qiao , Li, Qian-Wen , Chen, Wei-Peng , Zheng, Yan-Zhen . Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response . | CrystEngComm , 2021 , 23 (9) , 1881-1884 .
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Methods and Models of Theoretical Calculation for Single-Molecule Magnets SCIE
期刊论文 | 2021 , 7 (8) | MAGNETOCHEMISTRY
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Theoretical calculation plays an important role in the emerging field of single-molecule magnets (SMMs). It can not only explain experimental phenomena but also provide synthetic guidance. This review focuses on discussing the computational methods that have been used in this field in recent years. The most common and effective method is the complete active space self-consistent field (CASSCF) approach, which predicts mononuclear SMM property very well. For bi- and multi-nuclear SMMs, magnetic exchange needs to be considered, and the exchange coupling constants can be obtained by Monte Carlo (MC) simulation, ab initio calculation via the POLY_ANISO program and density functional theory combined with a broken-symmetry (DFT-BS) approach. Further application for these calculation methods to design high performance SMMs is also discussed.

Keyword :

calculation method single-molecule magnets lanthanide theoretical model magnetism

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GB/T 7714 Luo, Qian-Cheng , Zheng, Yan-Zhen . Methods and Models of Theoretical Calculation for Single-Molecule Magnets [J]. | MAGNETOCHEMISTRY , 2021 , 7 (8) .
MLA Luo, Qian-Cheng et al. "Methods and Models of Theoretical Calculation for Single-Molecule Magnets" . | MAGNETOCHEMISTRY 7 . 8 (2021) .
APA Luo, Qian-Cheng , Zheng, Yan-Zhen . Methods and Models of Theoretical Calculation for Single-Molecule Magnets . | MAGNETOCHEMISTRY , 2021 , 7 (8) .
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Recent Progress of Rare-Earth Single-Molecule Magnets EI
期刊论文 | 2021 , 39 (3) , 391-424 | Journal of the Chinese Rare Earth Society
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Single-molecule magnets (SMMs) are a class of nano-scale magnetic materials, and have attracted much attention due to the potential applications in high-density information storage, quantum qubits and molecular spintronic devices. Owing to the large magnetic moment and strong magnetic anisotropy, some rare-earth ions have incomparable advantages over transition metal ions in the construction of high-performance SMMs. In this review, the recent progress in rare earth SMMs represented by mononuclear and dinuclear complexes were high lighted, especially for the break through of the magnetic blocking temperature over the boiling point temperature of liquid nitrogen (77 K), which lays a solid foundation for futuristic single-molecule information storage at room temperature. © 2021, Editorial Office of Journal of the Chinese Society of Rare Earths. All right reserved.

Keyword :

Magnetic materials Magnetic storage Magnets Nanomagnetics Rare earths Magnetic anisotropy Molecules Magnetic moments Metal ions Transition metals Liquefied gases Transition metal compounds

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GB/T 7714 Li, Zihan , Luo, Qiancheng , Zheng, Yanzhen . Recent Progress of Rare-Earth Single-Molecule Magnets [J]. | Journal of the Chinese Rare Earth Society , 2021 , 39 (3) : 391-424 .
MLA Li, Zihan et al. "Recent Progress of Rare-Earth Single-Molecule Magnets" . | Journal of the Chinese Rare Earth Society 39 . 3 (2021) : 391-424 .
APA Li, Zihan , Luo, Qiancheng , Zheng, Yanzhen . Recent Progress of Rare-Earth Single-Molecule Magnets . | Journal of the Chinese Rare Earth Society , 2021 , 39 (3) , 391-424 .
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A giant spin molecule with ninety-six parallel unpaired electrons SCIE PubMed
期刊论文 | 2021 , 24 (4) | ISCIENCE
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Unpaired electrons which are essential for organic radicals and magnetic materials are hardly to align parallel, especially upon the increasing of spin numbers. Here, we show that the antiferromagnetic interaction in the largest Cr(III)-RE (rare earth) cluster {Cr10RE18} leads to 96 parallel electrons, forming a ground spin state ST of 48 for RE = Gd. This is so far the third largest ground spin state achieved in one molecule. Moreover, by using the classical Monte Carlo simulation, the exchange coupling constants J(ij) can be determined. Spin dynamics simulation reveals that the strong Zeeman effects of 18 Gd(III) ions stabilize the ground ferrimagnetic state and hinder themagnetization reversals of these spins. In addition, the dysprosium(III) analog is an exchange-biasing single-molecule magnet. We believe that the ferrimagnetic approach and analytical protocol established in this work can be applied generally in constructing and analyzing giant spin molecules.

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GB/T 7714 Qin, Lei , Zhang, Hao-Lan , Zhai, Yuan-Qi et al. A giant spin molecule with ninety-six parallel unpaired electrons [J]. | ISCIENCE , 2021 , 24 (4) .
MLA Qin, Lei et al. "A giant spin molecule with ninety-six parallel unpaired electrons" . | ISCIENCE 24 . 4 (2021) .
APA Qin, Lei , Zhang, Hao-Lan , Zhai, Yuan-Qi , Nojiri, Hiroyuki , Schroeder, Christian , Zheng, Yan-Zhen . A giant spin molecule with ninety-six parallel unpaired electrons . | ISCIENCE , 2021 , 24 (4) .
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Hendecanuclear [Cu6Gd5] magnetic cooler with high molecular symmetry of D-3h SCIE CSCD
期刊论文 | 2021 , 32 (2) , 838-841 | CHINESE CHEMICAL LETTERS
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A new family of isostructural 3d-4f polymetallic complexes, formulated as [Cu(6)Ln(5)(mu(3)-OH)(9) (C4H8O2N)(6)(C5H4ON)(6)(H2O)(9)].(ClO4)(6).(H2O)(22) (Ln = Pr, 1; Nd, 2; Sm, 3; Eu, 4; Gd, 5), was successfully isolated through the simple hydrolysis reaction of 2-aminoisobutyric acid, 2-hydroxypyridine, Cu(CH3COO)(2).H2O, and Ln(ClO4)(3).6H(2)O. Notably, the [Cu(6)Ln(5)] clusters with high molecular symmetry of D3h are rare examples of 2-aminoisobutyric acid-based 3d-4f clusters. The successful theoretical modeling of 5 yielded that the Gd-Gd exchange is of order 0.2 K, whereas the Gd-Cu exchange is an order of magnitude larger. Magnetization data collected for complex 5 yield a magnetic entropy change (-Delta S-m) of 19.6 J kg(-1) K-1 at 3 K and 7 T, which may be attributed to the weak magnetic interactions between the component metal ions. (C) 2020 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

Keyword :

Polymetallic complexes Magnetic refrigeration Lanthanide elements Hydrothermal reaction Magnetic interactions

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GB/T 7714 Chen, Weipeng , Zhou, Guojun , Gou, Zhuolun et al. Hendecanuclear [Cu6Gd5] magnetic cooler with high molecular symmetry of D-3h [J]. | CHINESE CHEMICAL LETTERS , 2021 , 32 (2) : 838-841 .
MLA Chen, Weipeng et al. "Hendecanuclear [Cu6Gd5] magnetic cooler with high molecular symmetry of D-3h" . | CHINESE CHEMICAL LETTERS 32 . 2 (2021) : 838-841 .
APA Chen, Weipeng , Zhou, Guojun , Gou, Zhuolun , Wang, Sen , Zhai, Yuanqi , Han, Tian et al. Hendecanuclear [Cu6Gd5] magnetic cooler with high molecular symmetry of D-3h . | CHINESE CHEMICAL LETTERS , 2021 , 32 (2) , 838-841 .
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A study of cation-dependent inverse hydrogen bonds and magnetic exchange-couplings in lanthanacarborane complexes SCIE PubMed
期刊论文 | 2021 , 24 (7) | ISCIENCE
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Ten lanthanacarborane complexes were synthesized to study the rare B-H delta-center dot center dot center dot Mn+ inverse hydrogen bonds (IHBs). The average bonding energy of B-H delta-center dot center dot center dot Ln(3+) is theoretically determined to be larger than 24 kJ/mol, which is comparable to moderately strong hydrogen bonds (21-56 kJ/mol). In addition to NMR and IR, magnetometer was used to study the exchange-coupling interaction via such B-H delta-center dot center dot center dot Ln(3+) IHBs in detail, and the coupling constant is determined to be -2.0 cm(-1), which is strong enough to compare with single-atom bridged dysprosium(III) complexes. Two imidazolin-iminato incorporated complexes have shown energy barrier for magnetization reversal larger than 1000 K, and the exchange-biasing effects are evident. Moreover, the bonding strengths of B-H delta-center dot center dot center dot Mn+ IHBs are cation-dependent. If M = Na, the B-H delta-center dot center dot center dot Na+ bonding energy is reduced to 14 kJ/mol, and the dimerization process is no longer reversible. The exchange-biasing effect is also disappeared. We believe such a finding extends our knowledge of IHBs.

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GB/T 7714 Jin, Peng-Bo , Luo, Qian-Cheng , Zhai, Yuan-Qi et al. A study of cation-dependent inverse hydrogen bonds and magnetic exchange-couplings in lanthanacarborane complexes [J]. | ISCIENCE , 2021 , 24 (7) .
MLA Jin, Peng-Bo et al. "A study of cation-dependent inverse hydrogen bonds and magnetic exchange-couplings in lanthanacarborane complexes" . | ISCIENCE 24 . 7 (2021) .
APA Jin, Peng-Bo , Luo, Qian-Cheng , Zhai, Yuan-Qi , Wang, Yi-Dian , Ma, Yan , Tian, Lei et al. A study of cation-dependent inverse hydrogen bonds and magnetic exchange-couplings in lanthanacarborane complexes . | ISCIENCE , 2021 , 24 (7) .
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A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets SCIE PubMed
期刊论文 | 2021 , 12 (36) , 8826-8832 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
WoS CC Cited Count: 5
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We discuss a cost-effective approach to understand magnetic relaxation in the new generation of rare-earth single-molecule magnets. It combines ab initio calculations of the crystal field parameters, of the magneto-elastic coupling with local modes, and of the phonon density of states with fitting of only three microscopic parameters. Although much less demanding than a fully ab initio approach, the method gives important physical insights into the origin of the observed relaxation. By applying it to high-anisotropy compounds with very different relaxation, we demonstrate the power of the approach and pinpoint ingredients for improving the performance of single-molecule magnets.

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GB/T 7714 Garlatti, Elena , Chiesa, Alessandro , Bonfa, Pietro et al. A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets [J]. | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2021 , 12 (36) : 8826-8832 .
MLA Garlatti, Elena et al. "A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets" . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12 . 36 (2021) : 8826-8832 .
APA Garlatti, Elena , Chiesa, Alessandro , Bonfa, Pietro , Macaluso, Emilio , Onuorah, Ifeanyi J. , Parmar, Vijay S. et al. A Cost-Effective Semi-Ab Initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets . | JOURNAL OF PHYSICAL CHEMISTRY LETTERS , 2021 , 12 (36) , 8826-8832 .
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Two-dimensional semiconducting Cs(i)/Bi(iii) bimetallic iodide hybrids for light detection EI SCIE
期刊论文 | 2021 , 5 (2) , 973-978 | Materials Chemistry Frontiers
WoS CC Cited Count: 1
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Lead-based semiconducting organic-inorganic halides such as CH3NH3PbI3 are promising materials for optoelectronic applications. However, the toxicity of lead and the instability of these materials could raise environmental issues if they are applied on a large scale. Herein, two new 2D lead-free bimetallic iodide-based hybrid compounds are presented, namely (C12H30N4)Cs3BiI8 (CsBiI-1) and (C14H35N4)CsBiI7 (CsBiI-2), using different amines: C6H14N2 = cyclohexane-1,4-diamine (CDA) and C7H16N2 = 2-piperidinoethylamine (PDA). These two compounds show optical band gaps of 2.18 eV and 2.39 eV for CsBiI-1 and CsBiI-2, respectively. Both materials yield high surface coverage films from spin-coating. Moreover, CsBiI-1 and CsBiI-2 are stable under moisture and present photocurrent responses. Thus, these materials have the potential for use in light detection. © the Partner Organisations.

Keyword :

Films Cesium compounds Bismuth compounds organic-inorganic materials Lead compounds Photocurrents Amines Energy gap

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GB/T 7714 Lassoued, Mohamed Saber , Bi, Le-Yu , Wu, Zhaoxin et al. Two-dimensional semiconducting Cs(i)/Bi(iii) bimetallic iodide hybrids for light detection [J]. | Materials Chemistry Frontiers , 2021 , 5 (2) : 973-978 .
MLA Lassoued, Mohamed Saber et al. "Two-dimensional semiconducting Cs(i)/Bi(iii) bimetallic iodide hybrids for light detection" . | Materials Chemistry Frontiers 5 . 2 (2021) : 973-978 .
APA Lassoued, Mohamed Saber , Bi, Le-Yu , Wu, Zhaoxin , Zhou, Guijiang , Zheng, Yan-Zhen . Two-dimensional semiconducting Cs(i)/Bi(iii) bimetallic iodide hybrids for light detection . | Materials Chemistry Frontiers , 2021 , 5 (2) , 973-978 .
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Vibronic barrier effect of magnetic relaxation in single-molecule magnets SCIE
期刊论文 | 2021 , 9 (26) , 8096-8098 | JOURNAL OF MATERIALS CHEMISTRY C
WoS CC Cited Count: 1
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Single-molecule magnets (SMMs) are a group of coordination complexes consisting of magnetic atoms and organic ligands, in which the coupling between the spin and local vibrational modes is of critical importance for magnetic relaxation. Vibronic barriers due to spin-phonon coupling have recently been proven to provide explanations for the under-barrier relaxation and anomalously low Raman exponents, two puzzles that have eluded researchers in this area over the decades and pervaded many experiments. Two studies (Phys. Rev. Lett. 2020, 125, 117203 and Phys. Rev. B 2021, 103, 014401) have elucidated them as being a result of a multi optical phonon-assisted Raman process in disguise, which introduces the gist and wide implication of this relaxation mechanism. This theory deductively unifies different magnetic relaxation processes in a quantum way, which can also be applied for more general systems.

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GB/T 7714 Zhai, Yuan-Qi , Zheng, Yan-Zhen . Vibronic barrier effect of magnetic relaxation in single-molecule magnets [J]. | JOURNAL OF MATERIALS CHEMISTRY C , 2021 , 9 (26) : 8096-8098 .
MLA Zhai, Yuan-Qi et al. "Vibronic barrier effect of magnetic relaxation in single-molecule magnets" . | JOURNAL OF MATERIALS CHEMISTRY C 9 . 26 (2021) : 8096-8098 .
APA Zhai, Yuan-Qi , Zheng, Yan-Zhen . Vibronic barrier effect of magnetic relaxation in single-molecule magnets . | JOURNAL OF MATERIALS CHEMISTRY C , 2021 , 9 (26) , 8096-8098 .
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