Photoluminescence from single-walled carbon nanotubes: a comparison between suspended and micelle-encapsulated nanotubes

Single-walled carbon nanotubes (SWNTs) are luminescent. Up to now, two preparation methods, both of which isolate individual SWNTs, have enabled the detection of nanotube bandgap photoluminescence (PL): encapsulation of individual SWNTs into surfactant micelles and direct growth of individual SWNTs suspended in air between pillars. This paper compares the PL obtained from suspended SWNTs to published PL data obtained from encapsulated SWNTs. We find that emission peaks are blueshifted by 28 meV on average for the suspended nanotubes as compared to the encapsulated nanotubes. Similarly, the resonant absorption peaks at the second set of van Hove singularities are blueshifted on average by 16 meV. Both shifts depend weakly on the particular chirality and diameter of the SWNT. PACS 78.67.Ch; 78.55.-m     

Doping-enhanced lithium diffusion in lithium-ion batteries

We disclose a distortion-assisted diffusion mechanism in Li3N and Li2.5Co0.5N by first-principles simulations. A B(2g) soft mode at the Γ point is found in α-Li3N, and a more stable α'-Li3N (P3m1) structure, which is 0.71 meV lower in energy, is further derived. The same soft mode is inherited into Li2.5Co0.5N and is enhanced due to Co doping. Consequently, unlike the usual Peierls spin instability along Co-N chains, large lithium-ion displacements on the Li-N plane are induced by a set of soft modes. Such a distortion is expected to offer Li atoms a route to bypass the high diffusion barrier and promote Li-ion conductivity. In addition, we further illustrate abnormal Born effective charges along Co-N chains which result from the competition between the motions of electrons and ion cores. Our results provide future opportunities in both fundamental understanding and structural modifications of Li-ion battery materials.     

Nb‐based MXenes for Li‐ion battery applications

Li‐ion batteries depend critically on the stability and capacity of the electrodes. In this respect the recently synthesized two‐dimensional MXenes are promising materials, as they combine an excellent Li‐ion capacity with very high charging rates. We employ density functional theory to investigate the impact of Li adsorption on the structural and electronic properties of monolayer Nb₂C and Nb₂CX₂. The Li ions are predicted to migrate easily on the pristine MXene due to a diffusion barrier of only 36 meV, whereas larger diffusion barriers are obtained for the functionalized MXenes. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Probing the non-pairwise interactions between CO molecules moving on a Cu(111) surface

The coverage dependent dynamics of CO on a Cu(111) surface are studied on an atomic scale using helium spin-echo spectroscopy. CO molecules occupy top sites preferentially, but also visit intermediate bridge sites in their motion along the reaction coordinate. We observe an increase in hopping rate as the CO coverage grows; however, the motion remains uncorrelated up to at least 0.10 monolayers (ML). From the temperature dependence of the diffusion rate, we find an effective barrier of 98 ± 5 meV for diffusion. Thermal motion is modelled with Langevin molecular dynamics, using a potential energy surface having adsorption sites at top and bridge positions and the experimental data are well represented by an adiabatic barrier for hopping of 123 meV. The sites are not degenerate and the rate changes observed with coverage are modelled successfully by changing the shape of the adiabatic potential energy surface in the region of the transition state without modifying the energy barrier. The results demonstrate that sufficient detail exists in the experimental data to provide information on the principal adsorption sites as well as the energy landscape in the region of the transition state.     

Direct observation of deep excitonic states in the photoluminescence spectra of single-walled carbon nanotubes

Low-energy, dark excitonic states have recently been predicted to lie below the first bright (E11) exciton in semiconducting single-walled carbon nanotubes [Phys. Rev. Lett. 93, 157402 (2004)10.1103/PhysRevLett.93.157402]. Decay into such deep excitonic states is implicated as a mechanism which reduces photoluminescence quantum yields. In this study we report the first direct observation of deep excitons in SWNTs. Photoluminescence (PL) microscopy of suspended semiconducting single-walled carbon nanotubes (SWNTs) reveals weak emission satellites redshifted by approximately 38-45 and approximately 100-130 meV relative to the main E11 PL emission peaks. Similar satellites, redshifted by 95-145 meV depending on nanotube species, were also found in PL measurements of ensembles of SWNTs in water-surfactant dispersions. The relative intensities of these deep exciton emission features depend on the nanotube surroundings.     

Identification of Acceptor States in Li-N Dual-Doped p-Type ZnO Thin Films

Li-N dual-doped p-type ZnO （ZnO：（Li, N）） thin films are prepared by pulsed laser deposition. The optical properties are studied using temperature-dependent photoluminescence. The Lizn-No complex acceptor with an energy 1evel of 138 me V is identified from the free-to-neutral-acceptor （e, A0 ） emission. The Haynes factor is about 0.087 for the Lizn-No complex acceptor, with the acceptor bound-exciton binding energy of 12meV. Another deeper acceptor state located at 248 meV, also identified from the （e, A0） emission, is attributed to zinc vacancy acceptor. The two acceptor states might both contribute to the observed p-type conductivity in ZnO：（Li,N）.     

In0.49Ga0.51P中缺陷的俘获行为

利用深能级瞬态谱（ＤＬＴＳ）和瞬态光电阻率谱（ＴＰＲＳ）研究了利用金属有机物化学汽相沉淀（ＭＯＣＶＤ）生长的未有意掺杂的Ｉｎ０．４９Ｇａ０．５１Ｐ中缺陷对载流子的俘获过程和发射过程．利用ＤＬＴＳ测量观测到了一个激活能为０．３７ｅＶ的缺陷,该缺陷的俘获势垒值介于１８０ｍｅＶ到２４０ｍｅＶ之间．该缺陷的俘获势垒值的大的分布被解释为缺陷周围原子重组的微观波动．在研究中发现研究这些缺陷的俘获过程比发射过程更有效,俘获势垒为０．０６ｅＶ和０．４０ｅＶ的两个缺陷在俘获过程中被观测到,而在发射过程中并没有观测到     

Fabrication of Co-doped ZnO nanowires and their temperature-dependent ultraviolet emission properties

Co-doped ZnO nanowires have been fabricated through a high temperature vapor–solid deposition process. The temperature-dependent ultraviolet emission properties of Co-doped ZnO nanowires under 10–300 K were reported. The results show that there are multipeak emissions situated at the ultraviolet region. The investigation of the excitonic transition in Co-doped ZnO nanowires shows that there is an intensive ultraviolet periodic emission of Co-doped ZnO nanowires under low temperature. The oscillatory structure has an energy periodicity about 70 meV. The oscillatory structure is mainly attributed to the longitudinal optical phonon replicas of the free exciton. The ultraviolet emission shows an obvious redshift with the increasing temperature.     

Single-atom contact mechanics: from atomic scale energy barrier to mechanical relaxation hysteresis

The potential energy landscape of surfaces governs the dynamics of adsorbed molecules, as well as atomic scale friction processes. We measure the potential energy landscape of a single-atom tip interacting with a vicinal nonconducting NaCl(100) surface in real space using noncontact atomic force microscopy. We find that the shape of the potential energy profile is of sinusoidal form with a barrier height of 48 meV. Furthermore, we observe a discontinuity in the force curves at specific lattice sites, indicating the onset of reversible yet hysteretic mechanical relaxations.     

High-temperature slow relaxation of the magnetization in Ni10 magnetic molecules

We investigate a family of molecular crystals containing noninteracting Ni10 magnetic molecules. We find slow relaxation of the magnetization below a temperature as high as 17 K and we show that this behavior is not associated with an anisotropy energy barrier. Ni10 has a characteristic magnetic energy spectrum structured in dense bands, the lowest of which makes the crystal opaque to phonons of energy below about 1 meV. We ascribe the nonequilibrium behavior to the resulting resonant trapping of these low-energy phonons. Trapping breaks up spin relaxation paths leading to a novel kind of slow magnetic dynamics which occurs in the lack of anisotropy, magnetic interactions and quenched disorder.     

Characteristics of Li diffusion on silicene and zigzag nanoribbon

We perform a density functional study on the adsorption and diffusion of Li atoms on silicene sheet and zigzag nanoribbons. Our results show that the diffusion energy barrier of Li adatoms on silicene sheet is 0.25 eV, which is much lower than on graphene and Si bulk. The diffusion barriers along the axis of zigzag silicene nanoribbon range from 0.1 to0.25 eV due to an edge effect, while the diffusion energy barrier is about 0.5 eV for a Li adatom to enter into a silicene nanoribbon. Our calculations indicate that using silicene nanoribbons as anodes is favorable for a Li-ion battery.     

Growth of single-walled carbon nanotubes on silicon nanowires

Single-walled carbon nanotubes (SWNTs) have been grown on silicon nanowires (SiNWs) by ethanol chemical vapor deposition (CVD) with Co catalysts. We have found that a surface SiO_x layer of SiNWs is necessary for the formation of active Co catalysts. In fact, the yield of the SWNT/SiNW heterojunctions gradually decreases as the thickness of the surface SiO_x layer decreases. Since thin SiNWs are transparent to an electron beam, the Co nanoparticles on SiNWs can be easily observed as well as SWNTs by TEM. Therefore, the relationship between the diameters of each SWNT and its catalyst nanoparticle has been investigated. The diameters of SWNTs are equal to or slightly smaller than those of the catalyst nanoparticles.     

Coulomb blockade and hopping transport behaviors of donor-induced quantum dots in junctionless transistors

The ionized dopants, working as quantum dots in silicon nanowires, exhibit potential advantages for the development of atomic-scale transistors. We investigate single electron tunneling through a phosphorus dopant induced quantum dots array in heavily n-doped junctionless nanowire transistors. Several subpeaks splittings in current oscillations are clearly observed due to the coupling of the quantum dots at the temperature of 6 K. The transport behaviors change from resonance tunneling to hoping conduction with increased temperature. The charging energy of the phosphorus donors is approximately 12.8 meV. This work helps clear the basic mechanism of electron transport through donor-induced quantum dots and electron transport properties in the heavily doped nanowire through dopant engineering.     

ZnO纳米线的合成与生长机理

采用化学气相沉积系统制备ZnO纳米线,以覆盖一层约5nm厚的Ag薄膜的单晶Si(001)为衬底,纳米线的生长遵循气-液-固(VLS)机理。对得到的样品采用X射线衍射(XRD)和扫描电镜(SEM)进行晶体结构和形貌的表征。XRD结果表明衬底温度在600~700℃时生长的ZnO纳米线具有六方结构和统一的取向。通过扫描电子显微镜分析,比较了生长温度对纳米线直径和长度的影响。实验表明我们可以通过催化剂和温度来实现ZnO纳米线生长的可控。与传统的VLS生长方式不同的是在我们制备的ZnO纳米线顶端并没有看到催化剂颗粒,表明纳米线的生长方式是底部生长,我们对其生长机理进行了研究。     

Temperature-dependent photoluminescence of vertically stacked self-assembled CdSe quantum dots in ZnSe

We studied the optical properties of multiple layers of self-assembled CdSe quantum dots (QDs) embedded in ZnSe, grown by molecular beam epitaxy. The ZnSe barrier thicknesses separating the QD layers ranged from 30 to 60 monolayers (ML). For stacks with thinnest ZnSe barriers photoluminescence (PL) measurements reveal blue shifts as large as 180 meV relative to PL observed for single QD layers. The amount of blue shift decreases with increasing barrier thickness, and for the 60 ML spacer the PL energy returns to that emitted by a single layer of QDs. Temperature dependence of the integrated intensity of the emission spectra reveals that the activation energy for PL quenching is largest for barrier thicknesses of 30 and 45 ML. We tentatively attribute these effects to a decrease in the size of the vertically stacked QDs when the thickness of the barrier layers is small.     

Exciton formation and annihilation during 1D impact excitation of carbon nanotubes

Near-infrared electroluminescence was recorded from unipolar single-wall carbon nanotube field-effect transistors at high drain-source voltages. High resolution spectra reveal resonant light emission originating from the radiative relaxation of excitons rather than heat dissipation. The electroluminescence is induced by only one carrier type and ascribed to 1D impact excitation. An emission quenching is also observed at high field and attributed to an exciton-exciton annihilation process and free carrier generation. The excitons' binding energy in the order of 270 meV for 1.4 nm SWNTs is inferred from the spectral features.     

Acoustic phonon engineering in coated cylindrical nanowires

We have theoretically investigated the effect of a coating made of the elastically dissimilar material on the acoustic phonon properties of semiconductor nanowires. It is shown that the acoustic impedance mismatch at the interface between the nanowire and the barrier coating affects dramatically the phonon spectra and group velocities in the nanowires. Coatings made of materials with a small sound velocity lead to compression of the phonon energy spectrum and strong reduction of the phonon group velocities. The coatings made of materials with a high sound velocity have opposite effect. Our calculations reveal substantial re-distribution of the elastic deformations in coated nanowires, which results in modification of the phonon transport properties, and corresponding changes in thermal and electrical conduction. We argue that tuning of the coated nanowire material parameters and the barrier layer thickness can be used for engineering the transport properties in such nanostructures.     

Calculation of shuffle 60° dislocation width and Peierls barrier and stress for semiconductors silicon and germanium

The dislocation width for shuffle 60° dislocation in semiconductors Si and Ge have been calculated by the improved P-N theory in which the discrete effect has been taken into account. Peierls barrier and stress have been evaluated with considering the contribution of strain energy. The discrete effect make dislocation width wider, and Peierls barrier and stress lower. The dislocation width of 60° dislocation in Si and Ge is respectively about 3.84 Å and 4.00 Å (～1b, b is the Burgers vector). In the case of 60° dislocation, after considering the contribution of strain energy, Peierls barrier and stress are increased. The Peierls barrier for 60° dislocation in Si and Ge is respectively about 15 meV/Å and 12–14 meV/Å, Peierls stress is about 3.8 meV/ų (0.6 GPa) and 2.7–3.3 meV/ų (0.4–0.5 GPa). The Peierls stress for Si agrees well with the numerical results and the critical stress at 0 K extrapolated from experimental data. Ge behaves similarly to Si.     

Exciton polaritons confined in a ZnO nanowire cavity

Semiconductor nanowires of high purity and crystallinity hold promise as building blocks for miniaturized optoelectrical devices. Using scanning-excitation single-wire emission spectroscopy, with either a laser or an electron beam as a spatially resolved excitation source, we observe standing-wave exciton polaritons in ZnO nanowires at room temperature. The Rabi splitting between the polariton branches is more than 100 meV. The dispersion curve of the modes in the nanowire is substantially modified due to light-matter interaction. This finding forms a key aspect in understanding subwavelength guiding in these nanowires.     

The influence of growth temperatures on the characteristics of GaN nanowires

This paper presents the investigation of the properties of GaN nanowires synthesized from Ni-catalyzed chemical vapour deposition method under various growth temperatures. The influence of the growth temperatures on the morphological, structural and optical characteristics of the synthesized GaN nanowires was investigated in this work. Field-emission scanning electron microscopy images revealed that the 950 °C was the optimal growth temperature for synthesizing uniform, straight and smooth morphology of GaN nanowires. X-ray diffraction results demonstrated that the synthesized low dimensional GaN structures have the hexagonal wurtzite structure. Ultraviolet and blue emissions were detected from photoluminescence measurements. In addition, phonon replicas with the energy separation of 90 meV have been observed at the lower energy of the blue emission region in photoluminescence spectra.