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11.
Qingrong Zheng Gang Su Jian Wang Hong Guo 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,25(2):233-238
We report a theoretical analysis of the phonon thermal conductance, κ(T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100 K, κ(T) of perfect SWCN is found to increase with temperature, approximately, in a parabolic fashion. This is qualitatively consistent
with recent experimental measurements where the tube-tube interactions are negligibly weak. When the carbon-carbon bond length
is slightly varied, κ(T) is found to be qualitatively unaltered which implies that the anharmonic effect does not change the qualitative behavior
of κ(T).
Received 12 June 2001 相似文献
12.
C. Bittencourt A. Felten J.-F. Colomer W. Drube J.-J. Pireaux 《Surface science》2007,601(13):2800-2804
Multi-wall carbon nanotubes (MWCNTs) were decorated with metal clusters by thermal evaporation. Transmission electron microscopy (TEM) shows that the nature and extent of metal coverage can be varied by plasma treating the MWCNT surface. The metal clusters on oxygen plasma treated arc-discharge MWCNTs have a more dense distribution than the clusters evaporated on as-synthesized arc-discharge MWCNTs. In contrast, the plasma treatment did not affect the cluster distribution on CVD MWCNTs. Analyses of the valence band and the core levels by X-ray photoelectron spectroscopy suggest poor charge transfer between gold clusters and MWCNTs; on the contrary suggest good charge transfer between Ni clusters and MWCNTs. 相似文献
13.
C. Bréchignac Ph. Cahuzac F. Carlier C. Colliex M. de Frutos N. Kébaïli J. Le Roux A. Masson B. Yoon 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,24(1-3):265-268
We studied shape relaxation of nano-fractal islands,
during annealing, after their growth from antimony cluster
deposition on graphite surface. Annealing at
180°C shows evidence of an increase
of the fractal branch width with time followed by branch
fragmentation, without changing the fractal dimension. The time
evolution of the width of the arm suggests the surface
self-diffusion mechanism as the main relaxation process. With
Monte Carlo simulations, we confirmed the observed behavior.
Comparison is done with our previous results on fragmentation of
nano-fractal silver islands when impurity added to the incident
cluster promotes rapid fragmentation by surface self-diffusion
enhancement [1]. 相似文献
14.
E. S. Dy H. Kasai 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,41(2):241-245
We study the interaction between tin(II) porphyrin (SnPor) with platinum and
non-precious Group 8B metals (iron, cobalt and nickel) by density functional
theory and discuss the electronic properties of the resulting products. We
also model the interaction of the resulting compounds with water where
applicable. Our studies indicate that, SnPor-Ni possesses electronic
properties similar to SnPor-Pt, suggesting that it may possess similar
photocatalytic properties for reduction reactions, such as converting water
to hydrogen gas. 相似文献
15.
16.
利用密度泛函理论研究了Al12N和Al12B团簇的原子结构和电子性质,通过各种异构体的比较,发现两种掺杂团簇的最低能量结构都是完好的二十面体(Ih)结构,N(B)原子占据在二十面体的中心.高对称性团簇形成稀疏离散的电子态密度和大的电子能隙.在Al-N之间发生较大的电荷转移.因此我们建议把Al12N团簇看作是碱金属超原子,Al12B团簇看作是卤素超原子,用来构造团簇组装固体. 相似文献
17.
In order to determine the energetic driving forces for surface segregation in bimetallic clusters, we use a combined approach coupling numerical simulations within an N-body interatomic potential and a lattice-gas model. This approach, which has been used successfully to study both the superficial segregation in semi-infinite alloys and the intergranular segregation, allows us to determine the relative contributions of the three elementary driving forces for the different sites of the cluster surface (vertices, edges and facets) in both dilute limits for the Cu-Ag system. We show that the segregation hierarchy based on broken-bond arguments (preferential segregation to the vertex sites, less to edge sites, and least to facet sites) is not at all universal. In particular, unusual hierarchies are predicted when the sizes of the constituents are strongly different. Furthermore, we compare the segregation driving forces for cubo-octahedral and icosahedral clusters. They are similar for the vertex sites and edge sites, whereas they differ significantly for the sites of the triangular facets. The segregation of the species with the largest atomic radius (Ag) is indeed largely enhanced in the icosahedral structure due to dilations of the orthoradial distances. 相似文献
18.
Feng S.-W. Tsai C.-Y. Cheng Y.-C. Liao C.-C. Yang C.C. Lin Y.-S. Ma K.-J. Chyi J.-I. 《Optical and Quantum Electronics》2002,34(12):1213-1219
A side-bump feature in a photoluminescence (PL) spectrum of an InGaN compound was widely observed. With reasonable fitting to PL spectra with three Gaussian distributions, the temperature variations of the peak positions, integrated PL intensities, and peak widths of the main and first side peaks of three InGaN/GaN multiple quantum well samples with different nominal indium contents are shown and interpreted. The existence of the side peaks is attributed to phonon–replica transitions. The variations of the peak position separations and the decreasing trends of the first side peak widths beyond certain temperatures in those samples were explained with the requirement of phonon momentum condition for phonon–replica transitions. In the sample with 25% nominal indium content, the phonon–replica transition could become stronger than the direct transition of localized states. 相似文献
19.
Tamotsu Kohyama 《Journal of statistical physics》1991,63(3-4):637-651
A class of simple two-dimensional cellular automata with particle conservation is proposed for easy simulations of interacting particle systems. The automata are defined by the exchange of states of neighboring cells, depending on the configurations around the cells. By attributing an energy to a configuration of cells, we can select significant rules from the huge number of possible rules and classify them into several groups, based on the analogy with a binary alloy. By numerical calculations, cluster growth is found in two kinds of phases which reveal gas-solid coexistence and liquid droplets. Normalized scaling functions are obtained, and dynamical scaling is examined. 相似文献
20.
Shoaib Ahmad 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(3):309-318
The mechanisms and processes of the formation of the regenerative soot in a graphite hollow cathode discharge that produces
and emits carbon clusters are presented. Mass spectrometry with a specially designed E×B velocity filter analyzes the entire range of the charged clusters from C
1 to ∼C
4300. The state of the carbon vapour within the source is evaluated by using the characteristic line emissions from the carbonaceous
discharge whose formative mechanisms depend upon the kinetic and potential sputtering of the sooted cathode. The carbonaceous
discharge generates atomic and ionic C and its clusters C
m (m≥ 2), noble gas metastable atoms and ions, energetic electrons and photons in the cavity of the graphite hollow cathode. The
parameters of soot formation and its recycling depend critically on the discharge parameters, the geometry of the hollow cathode
and 3D profile of the cusp magnetic field contours.
Received 2nd July 2001 and Received in final form 10 September 2001 相似文献