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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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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
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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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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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Stable two-dimensional lead iodide hybrid materials for light detection and broadband photoluminescence SCIE
期刊论文 | 2021 | MATERIALS CHEMISTRY FRONTIERS
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Two-dimensional (2D) organic-inorganic hybrid materials have attracted widespread attention for photodetection. Moreover, such materials with broadband photoluminescence and strong photocurrent response are still rare. Here, we report two new semiconducting 2D organic-inorganic hybrid materials, namely {(Pb2I6)-I-II[Pb-II(TETA)]}(n) (1Pb) and {(Pb3I8)-I-II[Pb-II(TETA)]}(n) (2Pb), where TETA = triethylenetetramine, with broadband yellow-green emission. Both compounds are soluble in DMF and yield high surface coverage films through spin coating. Strikingly, the photocurrent responses of such thin films show ca. 600 and 700 nA cm(-2) difference between I-light and I-dark for 1Pb and 2Pb, respectively. To the best of our knowledge, 1Pb and 2Pb showed among the highest current obtained in 2D lead iodide hybrid materials under a low voltage (0.7 V). Moreover, 1Pb and 2Pb are stable under heat, moisture and light, which may provide realistic applications for light detection.

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GB/T 7714 Lassoued, Mohamed Saber , Pang, Yuan-Chao , Li, Qian-Wen et al. Stable two-dimensional lead iodide hybrid materials for light detection and broadband photoluminescence [J]. | MATERIALS CHEMISTRY FRONTIERS , 2021 .
MLA Lassoued, Mohamed Saber et al. "Stable two-dimensional lead iodide hybrid materials for light detection and broadband photoluminescence" . | MATERIALS CHEMISTRY FRONTIERS (2021) .
APA Lassoued, Mohamed Saber , Pang, Yuan-Chao , Li, Qian-Wen , Ding, Xinkai , Jiao, Bo , Dong, Hua et al. Stable two-dimensional lead iodide hybrid materials for light detection and broadband photoluminescence . | MATERIALS CHEMISTRY FRONTIERS , 2021 .
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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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Experimental Protection of the Spin Coherence of a Molecular Qubit Exceeding a Millisecond SCIE CSCD
期刊论文 | 2021 , 38 (3) | CHINESE PHYSICS LETTERS
WoS CC Cited Count: 1
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Molecular qubits are promising as they can benefit from tailoring and versatile design of chemistry. It is essential to reduce the decoherence of molecular qubits caused by their interactions with the environment. Herein the dynamical decoupling (DD) technique is utilized to combat such decoherence. The coherence time for a transition-metal complex (PPh4)(2)[Cu(mnt)(2)] is prolonged from 6.8 mu s to 1.4 ms. The ratio of the coherence time and the length of pi/2 pulse, defined as the single qubit figure of merit (Q(M)), reaches 1.4 x 10(5), which is 40 times greater than what previously reported for this molecule. Our results show that molecular qubits, with milliseconds coherence time, are promising candidates for quantum information processing.

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GB/T 7714 Dai, Yingqiu , Fu, Yue , Shi, Zhifu et al. Experimental Protection of the Spin Coherence of a Molecular Qubit Exceeding a Millisecond [J]. | CHINESE PHYSICS LETTERS , 2021 , 38 (3) .
MLA Dai, Yingqiu et al. "Experimental Protection of the Spin Coherence of a Molecular Qubit Exceeding a Millisecond" . | CHINESE PHYSICS LETTERS 38 . 3 (2021) .
APA Dai, Yingqiu , Fu, Yue , Shi, Zhifu , Qin, Xi , Mu, Shiwei , Wu, Yang et al. Experimental Protection of the Spin Coherence of a Molecular Qubit Exceeding a Millisecond . | CHINESE PHYSICS LETTERS , 2021 , 38 (3) .
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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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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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A Local D4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K** EI SCIE PubMed
期刊论文 | 2021 , 27 (8) , 2623-2627 | Chemistry - A European Journal
WoS CC Cited Count: 12
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Three six-coordinate DyIII single-molecule magnets (SMMs) [Dy(OtBu)2(L)4]+ with local D4h symmetry are obtained by optimizing the equatorial ligands. One of the compounds with L=4-phenylpyridine shows an energy barrier (Ueff) of 2075(11) K, which is the third largest Ueff, and the first Ueff>2000 K for SMMs with axial-type symmetry so far. Ab initio analysis indicates that the exceptional uniaxial magnetic anisotropy is deeply related to the axially compressed octahedral geometry. This work provides a new insight into the local D4h symmetry for high-performance SMMs. © 2020 Wiley-VCH GmbH

Keyword :

Energy barriers Molecules Magnetic anisotropy Magnets Dysprosium compounds Geometry

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GB/T 7714 Ding, Xia-Li , Zhai, Yuan-Qi , Han, Tian et al. A Local D4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K** [J]. | Chemistry - A European Journal , 2021 , 27 (8) : 2623-2627 .
MLA Ding, Xia-Li et al. "A Local D4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K**" . | Chemistry - A European Journal 27 . 8 (2021) : 2623-2627 .
APA Ding, Xia-Li , Zhai, Yuan-Qi , Han, Tian , Chen, Wei-Peng , Ding, You-Song , Zheng, Yan-Zhen . A Local D4h Symmetric Dysprosium(III) Single-Molecule Magnet with an Energy Barrier Exceeding 2000 K** . | Chemistry - A European Journal , 2021 , 27 (8) , 2623-2627 .
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