Microscopic growth mechanism and edge states of monolayer 1T'-MoTe_(2)

Transition metal ditellurides(TMTDs)have versatile physical properties,including non-trivial topology,Weyl semimetal states and unique spin texture.Controlled growth of high-quality and large-scale monolayer TMTDs with preferred crystal phases is crucial for their applications.Here,we demonstrate the epitaxial growth of 1T'-MoTe_(2) on Au(111)and graphitized silicon carbide(Gr/SiC)by molecular beam epitaxy(MBE).We investigate the morphology of the grown1T'-MoTe_(2) at the atomic level by scanning tunnelling microscopy(STM)and reveal the corresponding microscopic growth mechanism.It is found that the unique ordered Te structures preferentially deposited on Au(111)regulate the growth of monolayer single crystal 1T'-MoTe_(2),while the Mo clusters were preferentially deposited on the Gr/SiC substrate,which impedes the ordered growth of monolayer MoTe_(2).We confirm that the size of single crystal 1T'-MoTe_(2) grown on Au(111)is nearly two orders of magnitude larger than that on Gr/SiC.By scanning tunnelling spectroscopy(STS),we observe that the STS spectrum of the monolayer 1T'-MoTe_(2) nano-island at the edge is different from that at the interior,which exhibits enhanced conductivity.

Design of Flexible Films Based on Kinked Carbon Nanofibers for High Rate and Stable Potassium-Ion Storage

With the emergence of wearable electronics,flexible energy storage materials have been extensively studied in recent years.However,most studies focus on improving the electrochemical properties,ignoring the flexible mechanism and structure design for flexible electrode materials with high rate capacities and long-time stability.In this study,porous,kinked,and entangled network structures are designed for highly flexible fiber films.Based on theoretical analysis and finite element simulation,the bending degree of the porous structure(30%porosity)increased by 192%at the micro-level.An appropriate increase in kinking degree at the meso-level and contact points in entanglement network at the macro-level are beneficial for the flexibility of fiber films.Therefore,a porous and entangled network of sulfur-/nitrogen-co-doped kinked carbon nanofibers(S/N-KCNFs)is synthesized.The nanofiber films synthesized from melamine as nitrogen sources and segmented vulcanization exhibited a porous,kinked,and entangled network structure,and the stretching degree increased several times.The flexible S/N-KCNFs anode delivered a higher rate performance of 270 mAh g−1 at a current density of 2000 mA g−1 and a higher capacity retention rate of 93.3%after 2000 cycles.Moreover,the foldable pouch cell assembled by potassium-ion hybrid supercapacitor operated safely at large-angle bending and showed long-time stability of 88%capacity retention after 4000 cycles.This study provides a new idea and strategy for the flexible structure design of high-performance potassium-ion storage materials.

Dynamics of Bright/Dark Solitons in Bose-Einstein Condensates with Time-Dependent Scattering Length and External Potential

We present an analytical study on the dynamics of bright and dark solitons in Bose-Einstein condensates with time-varying atomic scattering length in a time-varying external parabolic potential. A set of exact soliton solutions of the one-dimensional Gross-Pitaevskii equation are obtained, including fundamental bright solitons, higher-order bright solitons, and dark solitons. The results show that the soliton＇s parameters （amplitude, width, and period） can be changed in a controllable manner by changing the scattering length and external potential. This may be helpful to design experiments.

Collective Excitations and Nonlinear Dynamics of 1D BEC with Two-and Three-body Interactions in Anharmonic Traps

The collective excitations of low-dimensional Bose-Einstein condensates with two- and three-body interactions in anharmonic potentials are investigated. Using the standard variational approach, the governing equations of motions for the low-energy excitations are obtained by solving time-dependent Gross-Pitaevskii-Ginzburg equation, and the excitation spectrums are calculated in small amplitude limit. The frequency shift and nonlinear mode coupling induced by the anharmonic distortion （adding cubic, quartic, or quintic terra to a harmonic trap） are studied.

Enabling Multi-Chemisorption Sites on Carbon Nanofibers Cathodes by an In-situ Exfoliation Strategy for High-Performance Zn–Ion Hybrid Capacitors

Carbon nanofibers films are typical flexible electrode in the field of energy storage,but their application in Zinc-ion hybrid capacitors(ZIHCs)is limited by the low energy density due to the lack of active adsorption sites.In this work,an in-situ exfoliation strategy is reported to modulate the chemisorption sites of carbon nanofibers by high pyridine/pyrrole nitrogen doping and carbonyl functionalization.The experimental results and theoretical calculations indicate that the highly electronegative pyridine/pyrrole nitrogen dopants can not only greatly reduce the binding energy between carbonyl group and Z n2+by inducing charge delocalization of the carbonyl group,but also promote the adsorption of Zn2+by bonding with the carbonyl group to form N–Zn–O bond.Benefit from the multiple highly active chemisorption sites generated by the synergy between carbonyl groups and pyridine/pyrrole nitrogen atoms,the resulting carbon nanofibers film cathode displays a high energy density,an ultralong-term lifespan,and excellent capacity reservation under commercial mass loading(14.45 mg cm-2).Particularly,the cathodes can also operate stably in flexible or quasi-solid devices,indicating its application potential in flexible electronic products.This work established a universal method to solve the bottleneck problem of insufficient active adsorption sites of carbon-based ZIHCs.Imoproved should be changed into Improved.

Hydration effect on the electronic transport properties of oligomeric phenylene ethynylene molecular junctions

A first-principles computational method based on the hybrid density functional theory is developed to simulate the electronic transport properties of oligomeric phenylene ethynylene molecular junctions with H2O molecules accumulated in the vicinity as recently reported by Na et al. [Nanotechnology 18 424001 （2007）]. The numerical results show that the hydrogen bonds between the oxygen atoms of the oligomeric phenylene ethynylene molecule and H2O molecules result in the localisation of the molecular orbitals and lead to the lower transition peaks. The H2O molecular chains accumulated in the vicinity of the molecular junction can not only change the electronic structure of the molecular junctions, but also open additional electronic transport pathways. The obvious influence of H2O molecules on the electronic structure of the molecular junction and its electronic transport properties is thus demonstrated.

Tunnelling Dynamics of Bose-Einstein Condensates in a Five-Well Trap

We develop a five-well model for describing the tunnelling dynamics of Bose-Einstein condensates （BECs） trapped in 2D optical lattices. The tunnelling dynamics of BECs in this five-well model are investigated both analytically and numerically. We focus on the self-trapped states and the difference of the tunnelling dynamics among two- well, three-well and five-well systems. The criterions for the self-trapped states and the phase diagrams of the five trapped BECs in zero-phase mode and π-phase mode are obtained. We find that the criterions and the phase diagrams are largely modified by the dimension of the system and the phase difference 5etween wells. The five-well model is a good model and can give us an insight into the tunnelling dynamics of BECs trapped in 2D optical lattices.

Head-on collision of ring dark solitons in Bose-Einstein condensates

The ring dark solitons and their head-on collisions in a Bose-Einstein condensates with thin disc-shaped potential are studied. It is shown that the system admits a solution with two concentric ring solitons, one moving inwards and the other moving outwards, which in small-amplitude limit, are described by the two cylindrical KdV equations in the respective reference frames. By using the extended Poincaré-Lighthill-Kuo perturbation method, the analytical phase shifts following the head-on collisions between two ring dark solitary waves are derived. It is shown that the phase shifts decrease with the radial coordinate r according to the r-1/3 law and depend on the initial soliton amplitude and radius.

一种实现单层MoS_(2)光致发光显著增强的有效缺陷工程策略

二维过渡金属硫族化合物(TMDCs)材料被认为是拓展摩尔定律的极具前景的候选材料.然而,该材料的低光致发光效率严重限制了其实际应用,其本质源于材料制备中不可避免引入的缺陷.在本文中,我们报道了一种Sr掺杂单层MoS_(2)的有效缺陷工程策略,该策略在实验上通过简便的化学气相沉积(CVD)一步法成功实现.所制备的具有亚毫米(~324μm)级的大尺寸样品的光致发光可实现高达两个数量级的增强,并伴随着载流子寿命的显著增强.这一现象主要归因于Sr掺杂后MoS_(2)体系中其三激子向激子转换.与此同时,掺杂样品的辐射质量和稳定性也显著提升.第一性原理计算进一步阐明了其调控机制,即在MoS_(2)中引入适当互补缺陷能级与其自身的缺陷能级协同,从而可调节其载流子组分,以实现光致发光的显著增强.此外,我们的缺陷工程策略也适用于其他掺杂剂,如钙掺杂剂.我们的工作报告了一种可以显著提升单层MoS_(2)的荧光性能的有效缺陷工程策略,这为设计和调控二维TMDCs的光电特性提供一种极具前途的方法.

Amorphous B-doped graphitic carbon nitride quantum dots with high photoluminescence quantum yield of near 90% and their sensitive detection of Fe^(2+)/Cd^(2+)

Graphitic carbon nitride quantum dots(CNQDs) are emerging as attractive photoluminescent(PL)materials with excellent application potential in fluorescence imaging and heavy-metal ion detection. However, three limitations, namely, low quantum yields(QYs), self-quenching,and excitation-dependent PL emission behaviors, severely impede the commercial applications of crystalline CNQDs.Here we address these three challenges by synthesizing borondoped amorphous CNQDs via a hydrothermal process followed by the top±down cutting approach. Structural disorder endows the amorphous boron-doped CNQDs(B-CNQDs)with superior elastic strain performance over a wide range of pH values, thus effectively promoting mass transport and reducing exciton quenching. Boron as a dopant could fine-tune the electronic structure and emission properties of the PL material to achieve excitation-independent emission via the formation of uniform boron states. As a result, the amorphous B-CNQDs show unprecedented fluorescent stability(i.e., no obvious fading after two years) and a high QY of 87.4%;these values indicate that the quantum dots obtained are very promising fluorescent materials. Moreover, the B-CNQDs show bright-blue fluorescence under ultraviolet excitation when applied as ink on commercially available paper and are capable of the selective and sensitive detection of Fe^(2+) and Cd^(2+) in the parts-per-billion range. This work presents a novel avenue and scientific insights on amorphous carbon-based fluorescent materials for photoelectrical devices and sensors.

Promoting the optoelectronic and ferromagnetic properties of Cr_(2)S_(3)nanosheets via Se doping

Doping can change the band structure of semiconductors,thereby affecting their electrical,optical,and magnetic properties.In this study,we describe the synthesis of two-dimensional(2D)Se-doped Cr_(2)S_(3)(Se-Cr_(2)S_(3))nanosheets using the chemical vapor deposition method.In these semiconductor nanosheets,the Se doping concentration can be controlled by tuning the Se/S mass ratio in the precursor.At the doping concentrations of 10.05%and 2.05%,the room temperature conductivity and mobility were increased by nearly 4 and 2 orders of magnitude,respectively.In addition,the response time of an ultrathin Se-Cr_(2)S_(3)photodetector was 200 times shorter than that of an undoped Cr_(2)S_(3)nanosheet photodetector.4.07%-Se-Cr_(2)S_(3)nanosheets show ferrimagnetic behavior with a Curie temperature of~200 K,which is 80 K higher than that of undoped Cr_(2)S_(3)nanosheets.A density functional theory calculation indicated that the Se doping can induce the formation of intercalated Cr vacancies in SeCr_(2)S_(3)and enhance its metallic characteristics.Our results demonstrated that Se-Cr_(2)S_(3)has significant potential in future electronic,optoelectronic,and spintronic devices.

Electrospinning with sulfur powder to prepare CNF@G-Fe_(9)S_(10) nanofibers with controllable particles distribution for stable potassium-ion storage

As anode materials of electrochemical energy storage system,metal sulfides with high theoretical capacities suffer from issues of materials smashing and deactivation due to huge volume change,resulting in the inferior cycle stability.In this paper,a new strategy of adding sulfur powder into the electrospinning precursor instead of employing sulfur powder during the sulfurizing treatment is proposed to prepare Fe_(9)S_(10)composites(CNF@G-Fe_(9)S_(10)-1).In those composites,most of Fe_(9)S_(10)particles are embedded in the graphene-carbon fibers with multiple protection.As anodes for potassium-ion batteries,CNF@G-Fe_(9)S_(10)-1 display higher rate capacities and more excellent stability(103.2 mAh·g^(-1)at 1000 mA·g^(-1)after 892 cycles)than Fe_(9)S_(10)composites synthesized by the traditional method.In addition,as anodes for potassiumion hybrid capacitors,they also deliver high capacities of102.8 mAh·g^(-1)at 1000 mA·g^(-1)after 100 cycles.The morphology characterization evidences indicate that the surface and integrity of CNF@G-Fe_(9)S_(10)-1 are more smooth and complete than the Fe_(9)S_(10)composites fabricated using a common method without sulfur power in electrospinning precursor.The excellent stability and high capacity of CNF@G-Fe_(9)S_(10)-1 can be attributed to nearly full-wrapped structure of Fe_(9)S_(10)in the carbon matrix arising from the new strategy.Owing to the formation of the structure,Fe_(9)S_(10)particles are protected from the pulverization,and the structure stability of hybrid carbon fibers is enhanced.This study may provide a new strategy for the controllable synthesis of metal sulfide-CNFs and their application for high stability energy storage.

Vapor growth of WSe2/WS2 heterostructures with stacking dependent optical properties

Two-dimensional(2D)vertically stacked heterostructures based on layered transition-metal dichalcogenides(MDCs)have remarkablepote ntial in future applications due to their rich in terlayer related properties,such as in terlayer excitons,tun able interlayer band alignments.However,the controlled growth of TMDC bilayer heterostructures with preferred stacking structure remains challenging.Here,we report atwo-step van der Waals epitaxial vapor growth of WSe2/WS2 vertically stacked bilayer heterostructures with controllable commensurate crystallographic alignments(so called AA and AB stacki ng),by controlling the deposition temperature.Moire patter ns were obtai ned in bothAA and AB stacked WSe2/WS2 heterostructures.The stacking configuration of the vertical heterostructures was verified by the secondharmonic generation signals.Photoluminescenee and Raman spectroscopy studies further confirm that the heterostructures with differentstacking configuration have obviously different optical properties,which is ascribed to the distinct in terlayer coupling and resonance excitation between the distinguishing AA and AB stacked heterostructures.The controlled growth of AA and AB stacked heterostructures could provide an importa nee platform not only for fun dame ntal researches but also for functional electronic and optoelectronic deviceapplications.