• Complex
  • Title
  • Author
  • Keyword
  • Abstract
  • Scholars
Search
Sort by:
Default
  • Default
  • Title
  • Year
  • WOS Cited Count
  • Impact factor
  • Ascending
  • Descending
< Page ,Total 13 >
Graphene-size-tuned mechanical serration behaviors in nanocarbons EI Scopus SCIE
期刊论文 | 2019 , 162 , 116-125 | Acta Materialia
SCOPUS Cited Count: 1
Abstract&Keyword Cite

Abstract :

Two vastly different types of load-displacement responses observed in graphitic nanostructures under nano-compression are compared in terms of serration behaviors. Different from commonly encountered linear/nonlinear elastic deformation, a periodic serration behavior related to plastic flow is observed in amorphous carbon nanospheres. The true stress-strain relation exhibits a sole feature of type C serration, and comprehensive statistical, dynamical and fractal analyses further demonstrate a chaotic characteristic of dynamics for those serration events. When entering a quasi-steady flow stage, the elastic stress in each serration event could maintain a relatively stable level near ∼135 MPa, very close to the interlayer shear stress (ISS) of single crystalline graphite (∼140 MPa). This finding indicates the dependence of shear deformation on weak van der Waals interaction (elastic constant C44), instead of other structural factors associated with high elastic constants of graphite cells. Based on the experimental results, a microscale ISS-driven shearing mechanism is proposed. The local flexibility induced by small graphene lamellas may facilitate interfacial slip between neighboring domains with commensurate contact. Such slip mode may be responsible for the mechanical serration phenomenon in graphitic materials. © 2018 Acta Materialia Inc.

Keyword :

Carbon and graphite Chaotic characteristics Flow properties Graphitic materials Load-displacement response Shearing mechanisms Single-crystalline Van Der Waals interactions

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Li, Bo , Nan, Yanli , Zhao, Xiang et al. Graphene-size-tuned mechanical serration behaviors in nanocarbons [J]. | Acta Materialia , 2019 , 162 : 116-125 .
MLA Li, Bo et al. "Graphene-size-tuned mechanical serration behaviors in nanocarbons" . | Acta Materialia 162 (2019) : 116-125 .
APA Li, Bo , Nan, Yanli , Zhao, Xiang , Zhang, Peng , Song, Xiaolong . Graphene-size-tuned mechanical serration behaviors in nanocarbons . | Acta Materialia , 2019 , 162 , 116-125 .
Export to NoteExpress RIS BibTex
Optimization of pore-opening condition in single-walled carbon nanohorns to achieve high capacity in double layer capacitor at high charge-discharge rate: Critical effect of their hierarchical pore structures EI Scopus SCIE
期刊论文 | 2019 , 142 , 150-155 | Carbon
Abstract&Keyword Cite

Abstract :

© 2018 Elsevier Ltd We firstly reveal the unique tendency in the capacitance of an electric double layer capacitor (EDLC) made of single-walled carbon nanohorns (SWCNHs), where there is an optimized value of specific surface area (SSA) to achieve the high capacitance value at a high charge-discharge rate. As a result, in the experimental observation, SWCNHs treated by oxidation in air at 550 °C can exhibit 963.4 m2/g of SSA and 286.6 F/g of EDLC capacitance, whereas the ones treated at 500 °C can exhibit 797.5 m2/g and 316.4 F/g at a high scan rate of 100 mV/s, although the SSA-capacitance relation seems ordinal at 5 mV/s. This result is against a common sense that the higher the SSA, the higher the EDLC capacitance. This unique relationship between the SSA of SWCNHs and the capacitance can be explained by consideration of the hierarchical pore structures of SWCNHs, including the internal mesopore zone and inner-core micropore zone, and the diffusion limitation of ionic species in these different structures. These pores are interlinked via the nanowindows opened by the oxidation treatment, and the nanowindow-link can be enhanced by temperature elevation from 500 to 550 °C, while the superficial mesopore can be partially destroyed at 550 °C.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Nan, Yanli , Li, Bo , Song, Xiaolong et al. Optimization of pore-opening condition in single-walled carbon nanohorns to achieve high capacity in double layer capacitor at high charge-discharge rate: Critical effect of their hierarchical pore structures [J]. | Carbon , 2019 , 142 : 150-155 .
MLA Nan, Yanli et al. "Optimization of pore-opening condition in single-walled carbon nanohorns to achieve high capacity in double layer capacitor at high charge-discharge rate: Critical effect of their hierarchical pore structures" . | Carbon 142 (2019) : 150-155 .
APA Nan, Yanli , Li, Bo , Song, Xiaolong , Sano, Noriaki . Optimization of pore-opening condition in single-walled carbon nanohorns to achieve high capacity in double layer capacitor at high charge-discharge rate: Critical effect of their hierarchical pore structures . | Carbon , 2019 , 142 , 150-155 .
Export to NoteExpress RIS BibTex
Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson's Ratio SCIE
期刊论文 | 2019 | JOURNAL OF NANOMATERIALS
Abstract&Keyword Cite

Abstract :

The intrinsic negative Poisson's ratio effect in 2-dimensional nanomaterials have attracted a lot of research interests due to its superior mechanical properties, and new mechanisms have emerged in the nanoscale. In this paper, we designed a novel graphyne-like two-dimensional carbon nanostructure with a butterfly shape (GL-2D-1) and its configuration isomer with a herring-bone form (GL-2D-2) by means of density functional theoretical calculation and predicted their in-plane negative Poisson's ratio effect and other mechanical properties. Both GL-2D-1 and GL-2D-2 present a significant negative Poisson's ratio effect under different specific strains conditions. By contrast, GL-2D-2 presents a much stronger negative Poisson's ratio effect and mechanical stability than does GL-2D-1. It is hoped that this work could be a useful structural design strategy for the development of the 2D carbon nanostructure with the intrinsic negative Poisson's ratio.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Yuan, Kun , Li, Meng-Yang , Liu, Yan-Zhi et al. Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson's Ratio [J]. | JOURNAL OF NANOMATERIALS , 2019 .
MLA Yuan, Kun et al. "Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson's Ratio" . | JOURNAL OF NANOMATERIALS (2019) .
APA Yuan, Kun , Li, Meng-Yang , Liu, Yan-Zhi , Li, Ren-Zhong . Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson's Ratio . | JOURNAL OF NANOMATERIALS , 2019 .
Export to NoteExpress RIS BibTex
Sc2O@C-s(126339)-C-92: Di-scandium oxide cluster encapsulated into a large fullerene cage EI SCIE Scopus
期刊论文 | 2018 , 698 , 77-84 | CHEMICAL PHYSICS LETTERS
Abstract&Keyword Cite

Abstract :

The geometric, electronic structure and thermodynamic stability of Sc2O@C-92 has been characterized by using hybrid density functional theory calculations combined with statistical thermodynamic analyses. Results indicate that the isolated pentagon rule (IPR) isomers Sc2O@C-s(126339)-C-92, Sc2O@C-1(126367)-C-92 and Sc2O@C-1(126390)-C-92 are favorable. Noteworthy, it is the first time to declare that fullerene isomer Cs(126339)-C-92 could be considered as the suitable cage to encapsulate metallic cluster. The electronic properties of these three isomers were performed with frontier molecular orbital (HOMO and LUMO) analyses and bond order calculations. Finally, C-13 NMR and UV-vis-NIR spectra were simulated to provide valuable information for future experiments. (C) 2018 Elsevier B.V. All rights reserved.

Keyword :

Fullerene Electronic properties Hybrid density functional theory Thermodynamic

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Gu, Yong-Xin , Li, Qiao-Zhi , Li, De-Huai et al. Sc2O@C-s(126339)-C-92: Di-scandium oxide cluster encapsulated into a large fullerene cage [J]. | CHEMICAL PHYSICS LETTERS , 2018 , 698 : 77-84 .
MLA Gu, Yong-Xin et al. "Sc2O@C-s(126339)-C-92: Di-scandium oxide cluster encapsulated into a large fullerene cage" . | CHEMICAL PHYSICS LETTERS 698 (2018) : 77-84 .
APA Gu, Yong-Xin , Li, Qiao-Zhi , Li, De-Huai , Zhao, Rui-Sheng , Zhao, Xiang . Sc2O@C-s(126339)-C-92: Di-scandium oxide cluster encapsulated into a large fullerene cage . | CHEMICAL PHYSICS LETTERS , 2018 , 698 , 77-84 .
Export to NoteExpress RIS BibTex
Insight into the thermodynamically preferred V3N@I-h(31924)-C-80 and acknowledged VxSc3-xN@I-h(31924)-C-80 (x=0, 1 and 2) EI SCIE Scopus
期刊论文 | 2018 , 132 , 312-322 | CARBON
WoS CC Cited Count: 1 SCOPUS Cited Count: 1
Abstract&Keyword Cite

Abstract :

Very recently, the endohedral clusterfullerenes VxSc3-xN@C-80 (x = 1 and 2) have been successfully prepared. Herein, the novel entire family of VxSc3-xN@C-80 (x = 0, 1, 2 and 3) were systematically investigated via density functional theory combined with statistical thermodynamics methods. The isomer of I-h(31924)-C-80 was unambiguously proved as the most suitable hollow cage to entrap the clusters VxSc3-xN (x = 0, 1, 2 and 3) at the range of endohedral fullerenes form-temperature through statistical thermodynamics analysis considering the influence of entropy-enthalpy. Both the interaction between cluster, VxSc3-xN (x = 0, 1, 2 and 3), and empty cage I-h(31924)-C-80 and electronic properties of VxSc3-xN@I-h(31924)-C-80 (x = 0, 1, 2 and 3) were explored. IR and Raman spectra of VxSc3-xN@I-h(31924)-C-80 (x = 0, 1, 2 and 3) were simulated to distinguish the different structure of these isomers. The Raman absorption spectra of the vibration of inner moieties showed a similar strength interactions between each inner moiety and I-h(31924)-C-80. The possibility of existence for V3N@I-h(31924)-C-80 is strongly supported by thermodynamic and chemical stability. It is believed that this work will provide valuable information to further explorations of VxSc3-xN@I-h(31924)-C-80 (x = 0, 1, 2 and 3) in experiments and applications. (c) 2018 Elsevier Ltd. All rights reserved.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Li, Mengyang , Zhao, Yaoxiao , Yuan, Kun et al. Insight into the thermodynamically preferred V3N@I-h(31924)-C-80 and acknowledged VxSc3-xN@I-h(31924)-C-80 (x=0, 1 and 2) [J]. | CARBON , 2018 , 132 : 312-322 .
MLA Li, Mengyang et al. "Insight into the thermodynamically preferred V3N@I-h(31924)-C-80 and acknowledged VxSc3-xN@I-h(31924)-C-80 (x=0, 1 and 2)" . | CARBON 132 (2018) : 312-322 .
APA Li, Mengyang , Zhao, Yaoxiao , Yuan, Kun , Zhao, Ruisheng , Zhao, Pei , Zhao, Xiang . Insight into the thermodynamically preferred V3N@I-h(31924)-C-80 and acknowledged VxSc3-xN@I-h(31924)-C-80 (x=0, 1 and 2) . | CARBON , 2018 , 132 , 312-322 .
Export to NoteExpress RIS BibTex
Theoretical Insights into Monometallofullerene Th@C-76: Strong Covalent Interaction between Thorium and the Carbon Cage SCIE PubMed Scopus
期刊论文 | 2018 , 57 (6) , 2961-2964 | INORGANIC CHEMISTRY
WoS CC Cited Count: 2 SCOPUS Cited Count: 3
Abstract&Keyword Cite

Abstract :

Th@C-76 has been studied by density functional theory combined with statistical mechanics calculations. The results reveal that Th@T-d(19151)-C-76 satisfying the isolated pentagon rule possesses the lowest energy. Nevertheless, considering the enthalpy entropy interplay, Th@C-1(17418)-C-76 with one pair of adjacent pentagons is thermodynamically favorable at elevated temperatures, which is reported for the first time. The bonding critical points in both isomers were analyzed to disclose covalent interactions between the inner Th and cages. In addition, the Wiberg bond orders of M-C bonding in different endohedral metallofullerenes (EMFs) were investigated to prove stronger covalent interactions of Th-C in Th-based EMFs.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Zhao, Pei , Zhao, Xiang , Ehara, Masahiro . Theoretical Insights into Monometallofullerene Th@C-76: Strong Covalent Interaction between Thorium and the Carbon Cage [J]. | INORGANIC CHEMISTRY , 2018 , 57 (6) : 2961-2964 .
MLA Zhao, Pei et al. "Theoretical Insights into Monometallofullerene Th@C-76: Strong Covalent Interaction between Thorium and the Carbon Cage" . | INORGANIC CHEMISTRY 57 . 6 (2018) : 2961-2964 .
APA Zhao, Pei , Zhao, Xiang , Ehara, Masahiro . Theoretical Insights into Monometallofullerene Th@C-76: Strong Covalent Interaction between Thorium and the Carbon Cage . | INORGANIC CHEMISTRY , 2018 , 57 (6) , 2961-2964 .
Export to NoteExpress RIS BibTex
La-La bonded dimetallofullerenes [La-2@C-2n](-): species for stabilizing C-2n (2n=92-96) besides La2C2@C-2n SCIE PubMed Scopus
期刊论文 | 2018 , 20 (21) , 14671-14678 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Abstract&Keyword Cite

Abstract :

Recent reports pointed out that the formal La2C2n (2n = 92-106) series can exist stably as carbide cluster metallofullerenes (CCMFs) La2C2@C2n-2 with their successful crystallographic characterization. Herein, we suggest that the corresponding dimetallofullerenes (di-EMFs) La-2@C-2n possessing the lowest potential energies are also plausible candidates because of their favorability in statistical thermodynamics. This can be demonstrated in our present theoretical investigations on La2C94 and previously reported other La2C2n (2n = 92, 96-100) series by density functional theory calculations and statistical mechanics analyses. Nevertheless, it was noted that these thermodynamically favorable La-2@C-2n isomers turned out to be kinetically unstable radicals due to the presence of one unpaired electron on the carbon cage, making them missing fullerenes and difficult to be captured in their pristine forms, except for the experimentally obtained La-2@D-5(450)-C-100 that has no unpaired electron. Such kinetic instability could be modified by electron reduction (the products were denoted as [La-2@C-2n](-)) or other similar exterior functionalization with CF3 and benzyl radicals, resulting in La-La bonded and paramagnetic species capable of being captured. On the basis of these approaches, carbon cages D-3(85)-C-92, C-s(120)-C-94, D-2(186)-C-96, and C-2(157)-C-96 are predicted to be feasibly captured as both pristine CCMF species and electron reduced di-EMF derivatives.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Li, Qiao-Zhi , Zheng, Jia-Jia , He, Ling et al. La-La bonded dimetallofullerenes [La-2@C-2n](-): species for stabilizing C-2n (2n=92-96) besides La2C2@C-2n [J]. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 2018 , 20 (21) : 14671-14678 .
MLA Li, Qiao-Zhi et al. "La-La bonded dimetallofullerenes [La-2@C-2n](-): species for stabilizing C-2n (2n=92-96) besides La2C2@C-2n" . | PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20 . 21 (2018) : 14671-14678 .
APA Li, Qiao-Zhi , Zheng, Jia-Jia , He, Ling , Nagase, Shigeru , Zhao, Xiang . La-La bonded dimetallofullerenes [La-2@C-2n](-): species for stabilizing C-2n (2n=92-96) besides La2C2@C-2n . | PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 2018 , 20 (21) , 14671-14678 .
Export to NoteExpress RIS BibTex
Pressure and Photoinduced Phase Transitions of Elemental Sulfur Confined by Open-End Single-Wall Carbon Nanohorns EI SCIE Scopus
期刊论文 | 2018 , 122 (12) , 6976-6983 | JOURNAL OF PHYSICAL CHEMISTRY C
Abstract&Keyword Cite

Abstract :

Confined molecules in tubular nanospaces of nanocarbons, for example, carbon nanotubes and nanohorns (CNHs), lead to extraordinary behavior and properties different from their bulk analogues. Here, we investigated the confinement effect of CNHs on high-pressure elastic and vibrational properties of sulfur via the diamond anvil cell technique. X-ray diffraction measurements up to 40 GPa demonstrate two phase transitions of S-I -> amorphous -> S-II. A fit of equation of state yields a bulk modulus of similar to 24.8 GPa, about 70% higher than that of soft sulfur. Different from previous Raman studies, laser with red light wavelength (694.8 nm) and high laser density (similar to 2 mu W mu m(-2)) was employed under the threshold for generating C-S bonds. We observed a similar photoinduced transition of S-I to amorphous sulfur at 4-6 GPa compared to the results taken from blue and green light excitation and low laser density (e.g., <28 mu W mu m(-2)), showing enhanced photothermal stability of sulfur by the aid of single-wall CNHs.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Li, Bo , Nan, Yanli , Hu, Yun et al. Pressure and Photoinduced Phase Transitions of Elemental Sulfur Confined by Open-End Single-Wall Carbon Nanohorns [J]. | JOURNAL OF PHYSICAL CHEMISTRY C , 2018 , 122 (12) : 6976-6983 .
MLA Li, Bo et al. "Pressure and Photoinduced Phase Transitions of Elemental Sulfur Confined by Open-End Single-Wall Carbon Nanohorns" . | JOURNAL OF PHYSICAL CHEMISTRY C 122 . 12 (2018) : 6976-6983 .
APA Li, Bo , Nan, Yanli , Hu, Yun , Zhao, Xiang , Song, Xiaolong , Li, Haining et al. Pressure and Photoinduced Phase Transitions of Elemental Sulfur Confined by Open-End Single-Wall Carbon Nanohorns . | JOURNAL OF PHYSICAL CHEMISTRY C , 2018 , 122 (12) , 6976-6983 .
Export to NoteExpress RIS BibTex
Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C-82 Instead of Ti-2@C-84 EI SCIE Scopus
期刊论文 | 2018 , 122 (24) , 13148-13155 | JOURNAL OF PHYSICAL CHEMISTRY C
Abstract&Keyword Cite

Abstract :

Up to now, the controversies over the stable structures of endohedral di-metallofullerenes M2Cn, whether M-2@C-n, or M2C2@Cn-2, have continued ceaselessly. Herein, to disclose the optimal structures of Ti2C84, density functional theory combined with statistical thermodynamic analysis is performed in detail and it turns out that isolated pentagon rule C-82 with Ti2C2 inserted wins overwhelmingly and performs close-shell electronic structure after our detailed analysis. Furthermore, the stimulation of UV vis NIR absorption spectra of thermodynamics preferred isomers under polarizable continuum models shows better accordance to the experimental spectra to reconfirm our result again. And C-13 NMR spectra of three more stable isomers are performed for further investigations on geometry structures. Last but not least, the electronic structures and various interactions of thermodynamically optimum structures are further revealed.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Zhao, Yaoxiao , Li, Mengyang , Zhao, Ruisheng et al. Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C-82 Instead of Ti-2@C-84 [J]. | JOURNAL OF PHYSICAL CHEMISTRY C , 2018 , 122 (24) : 13148-13155 .
MLA Zhao, Yaoxiao et al. "Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C-82 Instead of Ti-2@C-84" . | JOURNAL OF PHYSICAL CHEMISTRY C 122 . 24 (2018) : 13148-13155 .
APA Zhao, Yaoxiao , Li, Mengyang , Zhao, Ruisheng , Zhao, Pei , Yuan, Kun , Li, Qiaozhi et al. Unmasking the Optimal Isomers of Ti2C84: Ti2C2@C-82 Instead of Ti-2@C-84 . | JOURNAL OF PHYSICAL CHEMISTRY C , 2018 , 122 (24) , 13148-13155 .
Export to NoteExpress RIS BibTex
Control of near infrared photoluminescence properties of single-walled carbon nanotubes by functionalization with dendrons EI SCIE
期刊论文 | 2018 , 10 (48) , 23012-23017 | NANOSCALE
Abstract&Keyword Cite

Abstract :

Single-walled carbon nanotubes (SWNTs) were functionalized by reacting them with sodium naphthalenide and dendrons to control their photoemission in the near-IR region. The functionalized SWNTs were characterized by absorption, Raman, and photoluminescence (PL) spectroscopy. The degree of functionalization of the SWNTs decreased with the increasing bulkiness of the dendrons used. After functionalization, new red-shifted PL peaks could be observed at approximate to 1110 and approximate to 1210 nm where the intensities were drastically enhanced by the thermal treatment. The relative peak intensity of to that of increased with the increasing bulkiness of the dendrons. Density functional theory (DFT) calculations of the functionalized SWNTs with dendrons suggest that the adducts with less bulky hydroalkylated substitution are stable in Clar structures and the addition positions predominantly determine the PL peak positions.

Cite:

Copy from the list or Export to your reference management。

GB/T 7714 Maeda, Yutaka , Konno, Yui , Yamada, Michio et al. Control of near infrared photoluminescence properties of single-walled carbon nanotubes by functionalization with dendrons [J]. | NANOSCALE , 2018 , 10 (48) : 23012-23017 .
MLA Maeda, Yutaka et al. "Control of near infrared photoluminescence properties of single-walled carbon nanotubes by functionalization with dendrons" . | NANOSCALE 10 . 48 (2018) : 23012-23017 .
APA Maeda, Yutaka , Konno, Yui , Yamada, Michio , Zhao, Pei , Zhao, Xiang , Ehara, Masahiro et al. Control of near infrared photoluminescence properties of single-walled carbon nanotubes by functionalization with dendrons . | NANOSCALE , 2018 , 10 (48) , 23012-23017 .
Export to NoteExpress RIS BibTex
10| 20| 50 per page
< Page ,Total 13 >

Export

Results:

Selected

to

Format:
FAQ| About| Online/Total:3385/55063100
Address:XI'AN JIAOTONG UNIVERSITY LIBRARY(No.28, Xianning West Road, Xi'an, Shaanxi Post Code:710049) Contact Us:029-82667865
Copyright:XI'AN JIAOTONG UNIVERSITY LIBRARY Technical Support:Beijing Aegean Software Co., Ltd.