arXiv subjects

Ning Lu

Publications and source records attributed to Ning Lu.

105 records · Page 6Linked to original sources

arXiv2017

MBE growth of 2H-MoTe2 and 1T'-MoTe2 on 3D substrates

MoTe2 is the least explored material in the Molybdenum-chalcogen family, which crystallizes in thermodynamically stable semiconducting 2H phase at \textless 500 C and 1T' metallic phase at higher temperatures. Molecular beam epitaxy (MBE) provides an unique opportunity to tackle the small electronegativity difference between Mo and Te while growing layer by layer away from thermodynamic equilibrium. For a few-layer MoTe2 grown at a moderate rate of $\sim$6 mins per monolayer under varied Te:Mo flux ratio and substrate temperature, the boundary between the 2 phases in MBE grown MoTe2 on CaF2 is characterized using Reflection high-energy electron diffraction (RHEED), Raman spectroscopy and X-ray photoemission spectroscopy (XPS). Grazing incidence X-ray diffraction (GI-XRD) reveals a grain size of $\sim$90 Å and presence of twinned grains. XRD, transmission electron miscroscopy, RHEED, low energy electron diffraction along with lack of electrical conductivity modulation by field effect in MBE 2H-MoTe2 on GaAs (111) B show likelihood of excess Te incorporation in the films. Finally, thermal stability and air sensitivity of MBE 2H-MoTe2 is investigated by temperature dependent XRD and XPS, respectively.

cond-mat.mtrl-sci↗

arXiv2017

Connected Vehicular Transportation: Data Analytics and Traffic-dependent Networking

With onboard operating systems becoming increasingly common in vehicles, the real-time broadband infotainment and Intelligent Transportation System (ITS) service applications in fast-motion vehicles become ever demanding, which are highly expected to significantly improve the efficiency and safety of our daily on-road lives. The emerging ITS and vehicular applications, e.g., trip planning, however, require substantial efforts on the real-time pervasive information collection and big data processing so as to provide quick decision making and feedbacks to the fast moving vehicles, which thus impose the significant challenges on the development of an efficient vehicular communication platform. In this article, we present TrasoNET, an integrated network framework to provide realtime intelligent transportation services to connected vehicles by exploring the data analytics and networking techniques. TrasoNET is built upon two key components. The first one guides vehicles to the appropriate access networks by exploring the information of realtime traffic status, specific user preferences, service applications and network conditions. The second component mainly involves a distributed automatic access engine, which enables individual vehicles to make distributed access decisions based on access recommender, local observation and historic information. We showcase the application of TrasoNET in a case study on real-time traffic sensing based on real traces of taxis.

cs.NI↗

arXiv2016

Covalent Nitrogen Doping and Compressive Strain in MoS2 by Remote N2 Plasma Exposure

Controllable doping of two-dimensional materials is highly desired for ideal device performance in both hetero- and p-n homo-junctions. Herein, we propose an effective strategy for doping of MoS2 with nitrogen through a remote N2 plasma surface treatment. By monitoring the surface chemistry of MoS2 upon N2 plasma exposure using in-situ X-ray photoelectron spectroscopy, we identified the presence of covalently bonded nitrogen in MoS2, where substitution of the chalcogen sulfur by nitrogen is determined as the doping mechanism. Furthermore, the electrical characterization demonstrates that p-type doping of MoS2 is achieved by nitrogen doping, in agreement with theoretical predictions. Notably, we found that the presence of nitrogen can induce compressive strain in the MoS2 structure, which represents the first evidence of strain induced by substitutional doping in a transition metal dichalcogenide material. Finally, our first principle calculations support the experimental demonstration of such strain, and a correlation between nitrogen doping concentration and compressive strain in MoS2 is elucidated.

cond-mat.mtrl-sci↗

arXiv2016

Formation of hexagonal Boron Nitride on Graphene-covered Copper Surfaces

Graphene-covered copper surfaces have been exposed to borazine, (BH)3(NH)3, with the resulting surfaces characterized by low-energy electron microscopy. Although the intent of the experiment was to form hexagonal boron nitride (h-BN) on top of the graphene, such layers were not obtained. Rather, in isolated surface areas, h-BN is found to form micrometer-size islands that substitute for the graphene. Additionally, over nearly the entire surface, the properties of the layer that was originally graphene is observed to change in a manner that is consistent with the formation of a mixed h-BN/graphene alloy, i.e. h-BNC alloy. Furthermore, following the deposition of the borazine, a small fraction of the surface is found to consist of bare copper, indicating etching of the overlying graphene. The inability to form h-BN layers on top of graphene is discussed in terms of the catalytic behavior of the underlying copper surface and the decomposition of the borazine on top of the graphene.

cond-mat.mtrl-sci↗

arXiv2015

Soft-Defined Heterogeneous Vehicular Network: Architecture and Challenges

Heterogeneous Vehicular NETworks (HetVNETs) can meet various quality-of-service (QoS) requirements for intelligent transport system (ITS) services by integrating different access networks coherently. However, the current network architecture for HetVNET cannot efficiently deal with the increasing demands of rapidly changing network landscape. Thanks to the centralization and flexibility of the cloud radio access network (Cloud-RAN), soft-defined networking (SDN) can conveniently be applied to support the dynamic nature of future HetVNET functions and various applications while reducing the operating costs. In this paper, we first propose the multi-layer Cloud RAN architecture for implementing the new network, where the multi-domain resources can be exploited as needed for vehicle users. Then, the high-level design of soft-defined HetVNET is presented in detail. Finally, we briefly discuss key challenges and solutions for this new network, corroborating its feasibility in the emerging fifth-generation (5G) era.

cs.NI↗

arXiv2015

Atomically Thin Resonant Tunnel Diodes built from Synthetic van der Waals Heterostructures

Vertical integration of two-dimensional van der Waals materials is predicted to lead to novel electronic and optical properties not found in the constituent layers. Here, we present the direct synthesis of two unique, atomically thin, multi-junction heterostructures by combining graphene with the monolayer transition-metal dichalocogenides: MoS2, MoSe2, and WSe2.The realization of MoS2-WSe2-Graphene and WSe2-MoSe2-Graphene heterostructures leads toresonant tunneling in an atomically thin stack with spectrally narrow room temperature negative differential resistance characteristics.

cond-mat.mtrl-sci↗

arXiv2014

Phosphorene nanoribbons, nanotubes and van der Waals multilayers

We perform a comprehensive first-principles study of the electronic properties of phosphorene nanoribbons, phosphorene nanotubes, multilayer phosphorene, and heterobilayers of phosphorene and two-dimensional (2D) transition metal dichalcogenide (TMDC) monolayer. The tensile strain and electric-field effects on electronic properties of low-dimensional phosphorene nanostructures are also investigated. Our calculations show that zigzag phosphorene nanoribbons (z-PNRs) are metals, regardless of the ribbon width while armchair phosphorene nanoribbons (a-PNRs) are semiconductors with indirect bandgaps and the bandgaps are insensitive to variation of the ribbon width. We find that tensile compression (or expansion) strains can reduce (or increase) the bandgap of the a-PNRs while an in-plane electric field can significantly reduce the bandgap of a-PNRs, leading to the semiconductor-to-metal transition beyond certain electric field. For single-walled phosphorene nanotubes (SW-PNTs), both armchair and zigzag nanotubes are semiconductors with direct bandgaps. With either tensile strains or transverse electric field, similar behavior of bandgap modulation can arise as that for a-PNRs. It is known that multilayer phosphorene sheets are semiconductors with their bandgaps decreasing with increasing the number of multilayers. In the presence of a vertical electric field, the bandgaps of multilayer phosphorene sheets decrease with increasing the electric field, and the bandgap modulation is more significant with more layers. Lastly, heterobilayers of phosporene with a TMDC (MoS2 or WS2) monolayer are still semiconductors while their bandgaps can be reduced by applying a vertical electric field as well.

cond-mat.mes-hall↗

arXiv2014

Tuning Electronic and Magnetic Properties of Early Transition Metal Dichalcogenides via Tensile Strain

We have performed a systematic first-principles study of the effect of tensile strains on the electronic properties of early transition-metal dichalcogenide (TMDC) monolayers MX2 (M = Sc, Ti, Zr, Hf, Ta, Cr; X = S, Se, and Te). Our density-functional theory (DFT) calculations suggest that the tensile strain can significantly affect the electronic properties of many early TMDCs in general and the electronic bandgap in particular. For group IVB TMDCs (TiX2, ZrX2, HfX2), the bandgap increases with the tensile strain, but for ZrX2 and HfX2 (X=S, Se), the bandgap starts to decrease at strain 6% to 8%. For the group-VB TMDCs (TaX2), the tensile strain can either induce the ferromagnetism or enhance the existing ferromagnetism. For the group-VIB TMDCs (CrX2) the direct-to-indirect bandgap transition is seen upon application of the tensile strain, except CrTe2 whose bandgap decreases with the tensile strain even though the direct character of its bandgap is retained. Lastly, for the group-IIIB TMDCs (ScX2) in the T metallic phase, we find that the tensile strain has little effect on their electronic and magnetic properties. Our study suggests that strain engineering is an effective approach to modify electronic and magnetic properties of most early TMDC monolayers, thereby opening an alternative way for future optoelectronic and spintronic applications.

cond-mat.mes-hall↗

arXiv2013

MoS2/MX2 heterobilayers: Bandgap engineering via tensile strain or external electrical field

We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W; X=S, Se, all heterobilayers show semiconducting characteristics with an indirect bandgap with the exception of the WSe2/MoS2 heterobilayer which retains the direct-band-gap character of the constituent monolayer. For M = Fe, V; X = S, Se, the MX2/MoS2 heterobilayers exhibit metallic characters. Particular attention of this study has been focused on engineering bandgap of the TMD heterobilayer materials via application of either a tensile strain or an external electric field. We find that with increasing either the biaxial or uniaxial tensile strain, the MX2/MoS2 (M=Mo, Cr, W; X=S, Se) heterobilayers can undergo a semiconductor-to-metal transition. For the WSe2/MoS2 heterobilayer, a direct-to-indirect bandgap transition may occur beyond a critical biaxial or uniaxial strain. For M (=Fe, V) and X (=S, Se), the magnetic moments of both metal and chalcogen atoms are enhanced when the MX2/MoS2 heterobilayers are under a biaxial tensile strain. Moreover, the bandgap of MX2/MoS2 (M=Mo, Cr, W; X=S, Se) heterobilayers can be reduced by the electric field. For two heterobilayers MSe2/MoS2 (M=Mo, Cr), PBE calculations suggest that the indirect-to-direct bandgap transition may occur under an external electric field. The transition is attributed to the enhanced spontaneous polarization. The tunable bandgaps in general and possible indirect-direct bandgap transitions due to tensile strain or external electric field endow the TMD heterobilayer materials a viable candidate for optoelectronic applications.

cond-mat.mes-hall↗

arXiv2013

The organic functional group effect on the electronic structure of graphene nano-ribbon: A first-principles study

We report a first-principles study of the electronic structure of functionalized graphene nano-ribbon (aGNRs-f) by organic functional group (CH2C6H5) and find that CH2C6H5 functionalized group does not produce any electronic states in the gap and the band gap is direct. By changing both the density of the organic functional group and the width of the aGNRs-f, a band gap tuning exhibits a fine three family behavior through the side effect. Meanwhile, the carriers at conduction band minimum and valence band maximum are located in both CH2C6H5 and aGNR regions when the density of the CH2C6H5 is big; while they distribute dominantly in aGNR conversely. The band gap modulation effects make the aGNRs-f good candidates with high quantum efficiency and much more wavelength choices range from 750 to 93924 nm both for lasers, light emitting diodes and photo detectors due to the direct band gap and small carrier effective masses.

cond-mat.mtrl-sci↗

arXiv2011

Structure of graphene oxide: thermodynamics versus kinetics

Graphene oxide (GO) is an important intermediate to prepare graphene and it is also a versatile material with various applications. However, despite its importance, the detailed structure of GO is still unclear. For example, previous theoretical studies based on energetics have suggested that hydroxyl chain is an important structural motif of GO, which, however, is found to be contrary to nuclear magnetic resonance (NMR) experiment. In this study, we check both thermodynamic and kinetic aspects missed previously. First principles thermodynamics gives a free energy based stability ordering similar to that based on energetics, and hydroxyl chain is thus thermodynamically still favorable. At the same time, by checking the calculated vibrational frequencies, we note that hydroxyl chain structure is also inconsistent with infrared experiment. Therefore, kinetics during GO synthesis is expected to make an important role in GO structure. Transition state calculations predict large energy barriers between local minima, which suggests that experimentally obtained GO has a kinetically constrained structure.

cond-mat.mtrl-sci↗

arXiv2010

First Principles NMR Signatures of Graphene Oxide

Nuclear magnetic resonance (NMR) has been widely used in the graphene oxide (GO) structure study. However, the detailed relationship between its spectroscopic features and the GO structural configuration has remained elusive. Based on first principles $^{13}$C chemical shift calculations using the gauge including projector augmented waves (GIPAW) method, we provide a spectrum-structure connection. Chemical shift of carbon is found to be very sensitive to atomic environment, even with an identical oxidation group. Factors determining the chemical shifts for epoxy and hydroxy groups have been discussed. GO structures previously reported in the literature have been checked from the NMR point of view. The energetically favorable hydroxy chain structure is not expected to be widely existed in real GO samples according to our NMR simulations. The epoxy pair we proposed previously is also supported by chemical shift calculations.

cond-mat.mtrl-sci↗

arXiv2009

Chemical functionalization on planar polysilane and graphane

Two dimensional materials are important for electronics applications. A natural way for electronic structure engineering on two dimensional systems is on-plane chemical functionalization. Based on density functional theory, we study the electronic structures of fluorine substituted planar polysilane and graphane. We find that carbon and silicon present very different surface chemistry. The indirect energy gap of planar polysilane turns to be direct upon fluorine decoration, and the gap width is mainly determined by fluorine coverage regardless of its distribution on the surface. However, electronic structure of fluorine doped graphane is very sensitive to the doping configuration, due to the competition between antibonding states and nearly-free-electron (NFE) states. With specific fluorine distribution pattern, zero-dimensional and one-dimensional NFE states can be obtained. We have also studied the chemical modification with -OH or -NH$_2$ group. Carbon seems to be too small to accommodate big functional groups on its graphane skeleton with a high concentration.

cond-mat.mtrl-sci↗

arXiv2004

Modeling Uncertainties in Aggregated Thermostatically Controlled Loads Using a State Queueing Model

To study the impacts of price responsive demand on the electric power system requires better load models. This paper discusses the modeling of uncertainties in aggregated thermostatically controlled loads using a state queueing (SQ) model. The cycling times of thermostatically controlled appliances (TCAs) vary with the TCA types and sizes, as well as the ambient temperatures. The random consumption of consumers, which shortens or prolongs a specific TCA cycling period, introduces another degree of uncertainty. By modifying the state transition matrix, these random factors can be taken into account in a discrete SQ model. The impacts of considering load diversity in the SQ model while simulating TCA setpoint response are also studied.

nlin.CD↗

arXiv2004

Parallel Computing Environments and Methods for Power Distribution System Simulation

The development of cost-effective highperformance parallel computing on multi-processor supercomputers makes it attractive to port excessively time consuming simulation software from personal computers (PC) to super computes. The power distribution system simulator (PDSS) takes a bottom-up approach and simulates load at the appliance level, where detailed thermal models for appliances are used. This approach works well for a small power distribution system consisting of a few thousand appliances. When the number of appliances increases, the simulation uses up the PC memory and its runtime increases to a point where the approach is no longer feasible to model a practical large power distribution system. This paper presents an effort made to port a PC-based power distribution system simulator to a 128-processor shared-memory supercomputer. The paper offers an overview of the parallel computing environment and a description of the modification made to the PDSS model. The performance of the PDSS running on a standalone PC and on the supercomputer is compared. Future research direction of utilizing parallel computing in the power distribution system simulation is also addressed.

cs.DC↗