A5037093401- 2D Materials and Applications
- Graphene research and applications
- MXene and MAX Phase Materials
- Molecular Junctions and Nanostructures
- Quantum and electron transport phenomena
- Ferroelectric and Negative Capacitance Devices
- Perovskite Materials and Applications
- Nanowire Synthesis and Applications
- Electronic and Structural Properties of Oxides
- Semiconductor materials and interfaces
- Advanced Photocatalysis Techniques
- Carbon Nanotubes in Composites
- Boron and Carbon Nanomaterials Research
- Quantum Dots Synthesis And Properties
- Advanced Memory and Neural Computing
- Machine Learning in Materials Science
- Inorganic Chemistry and Materials
- Electrocatalysts for Energy Conversion
- Advancements in Battery Materials
- Chalcogenide Semiconductor Thin Films
- Gas Sensing Nanomaterials and Sensors
- Semiconductor materials and devices
- Multiferroics and related materials
- Fuel Cells and Related Materials
- Surface and Thin Film Phenomena
Hengyang Normal University
2018-2025
Nano Energy (South Africa)
2025
Hunan University
2024
Singapore University of Technology and Design
2019-2022
Hengyang Academy of Agricultural Sciences
2020
Hunan Normal University
2016-2018
Ministry of Education of the People's Republic of China
2017
Abstract Metal contacts to two-dimensional (2D) semiconductors are often plagued by the strong Fermi level pinning (FLP) effect which reduces tunability of Schottky barrier height (SBH) and degrades performance 2D semiconductor devices. Here, we show that MoSi 2 N 4 WSi monolayers—an emerging family with exceptional physical properties—exhibit strongly suppressed FLP wide-range tunable SBH. An exceptionally large SBH slope parameter S ≈ 0.7 is obtained outperforms vast majority other...
Recent experimental synthesis of ambient-stable MoSi2N4 monolayer has garnered enormous research interest. The intercalation morphology MoSi2N4—composed a transition metal nitride (Mo-N) inner sub-monolayer sandwiched by two silicon (Si-N) outer sub-monolayers—has motivated the computational discovery an expansive family synthetic MA2Z4 monolayers with no bulk (3D) material counterpart (where M = metals or alkaline earth metals; A Si, Ge; and N N, P, As). exhibit interesting electronic,...
Abstract Electrically contacting two‐dimensional (2D) materials is an inevitable process in the fabrication of devices for both study fundamental nanoscale charge transport physics and design high‐performance novel electronic optoelectronic devices. The electrical contact formation interfacial injection critically underlies performance, energy‐efficiency functionality 2D‐material‐based devices, thus representing one key factors determining whether 2D can be successfully implemented as a new...
With exceptional electrical and mechanical properties at the same time air-stability, layered MoSi2N4 has recently draw great attention. However, band structure engineering via strain electric field, which is vital for practical applications, not yet been explored. In this work, we show that biaxial external field are effective ways gap of bilayer MoSi$_2$N$_4$ WSi$_2$N$_4$. It found can lead to indirect direct transition. On other hand, result in semiconductor metal Our study provides...
Janus transition metal dichalcogenides with a built-in structural cross-plane asymmetry have recently emerged as new class of two-dimensional materials large dipole. By using the density functional theory calculation, we report formation different Schottky barriers for PtSSe and graphene based van der Waals heterostructures, where barrier height (SBH) type contact can be controlled by adjusting interlayer distance, applying an external electric field, having multiple layers PtSSe. It is...
Multiferroic van der Waals (vdW) heterostrucutres offers an exciting route towards novel nanoelectronics and spintronics device technology. Here we investigate the electronic transport properties of multiferroic vdW heterostructure composed ferromagnetic FeCl$_2$ monolayer ferroelectric Sc$_2$CO$_2$ using first-principles density functional theory quantum simulations. We show that FeCl$_2$/Sc$_2$CO$_2$ can be reversibly switched from semiconducting to half-metallic behavior by electrically...
Abstract 2D materials van der Waals heterostructures (vdWHs) provide a revolutionary route toward high‐performance solar energy conversion devices beyond the conventional silicon‐based pn junction cells. Despite tremendous research progress accomplished in recent years, searches of vdWHs with exceptional excitonic cell efficiency and optical properties remain an open theoretical experimental quest. Here, this study shows that vdWH family composed MoSi 2 N 4 WSi monolayers provides compelling...
Two-dimensional (2D) niobium oxydihalide NbOI2 has been recently demonstrated as an excellent in-plane piezoelectric and nonlinear optical material. Here we show that Janus oxydihalide, NbOXY (X, Y = Cl, Br, I X ≠ Y), is a multifunctional anisotropic semiconductor family with exceptional piezoelectric, electronic, photocatalytic properties. are stable flexible monolayers band gap around the visible light regime of ∼1.9 eV. The carrier mobility exhibits exceptionally strong anisotoropy ratio...
Recent experiment has uncovered semimetal bismuth (Bi) as an excellent electrical contact to monolayer MoS$_2$ with ultralow resistance. The physics of the broader semimetal/monolayer-semiconductor family beyond Bi/MoS$_2$, however, remains largely unexplored thus far. Here we perform a comprehensive first-principle density functional theory investigation on properties between six archetypal two-dimensional (2D) transition metal dichalcogenide (TMDC) semiconductors, i.e. MoS$_2$, WS$_2$,...
Two-dimensional (2D) Janus semiconductor materials have shown significant potential in the fields of electronics and optoelectronics. The problem interface contact with electrodes is still faced preparation 2D devices based on them. In this work, we study interfacial properties M2OS (M = Ga, In) material graphene by using ab initio density functional calculations. results show that an n-type quasi-Ohmic (Ohmic contact) formed regardless whether electrode O or S surface Ga2OS (In2OS)....
Abstract Recent discovery of ultrathick MoSi 2 N 4 (MoN) n monolayers open up an exciting platform to engineer two‐dimensional (2D) material properties via intercalation architecture. In this study, a series MA (M'N) (M, M' = Mo, W; A Si, Ge) is computationally investigated under both homolayer and heterolayer architectures, in which the same different species transition metal nitride inner core sublayer are intercalated by outer passivating sublayers, respectively. The stable metallic with...
The engineering of efficient electrical contacts to two-dimensional (2D) layered materials represents one the major challenges in development industrial-grade 2D-material-based electronics and optoelectronics. In this paper, we present a computational study contact resistance current-flow distribution for between 2D three-dimensional (3D) metals different materials. We develop models 2D/2D 2D/3D metal/semiconductor interfaces based on self-consistent transmission-line model coupled with...
A two-dimensional (2D) MoSi2N4 monolayer is an emerging class of air-stable 2D semiconductors possessing exceptional electrical and mechanical properties. Despite intensive recent research effort devoted to uncover the material properties MoSi2N4, physics contacts remains largely unexplored thus far. In this work, we study van der Waals heterostructures composed contacted by graphene NbS2 monolayers using first-principles density functional theory calculations. We show that MoSi2N4/NbS2...
Forming a low-resistance semiconductor–metal contact is critical step to achieve high-performance two-dimensional (2D) semiconductor nanoelectronic device. Motivated by the recent discovery of monolayer γ-GeSe with exceptional high electrical conductivity reaching 105 S/m, we computationally investigate interface properties four representative classes metallic systems, including 2D semimetal (graphene), metal (NbS2), 3D (Bi), and (Au) using first-principle density functional theory...
We study the spin-dependent electron transport through a junction consisting of single pyridine-linked (PDL) molecule sandwiched between two zigzag-edged graphene nanoribbon (ZGNR) electrodes modulated by an external magnetic field, where 4,4′-bipyridine, 4,4′-vinylenedipyridine, and 4,4′-ethylenedipyridine molecules are considered, respectively. By using ab initio calculations based on density functional theory combined with nonequilibrium Green's function formalism, it is shown that...
Two-dimensional transition metal dichalcogenides (TMDCs) have properties attractive for optoelectronic and quantum applications. A crucial element devices is the metal-semiconductor interface. However, high contact resistances hindered progress. Quantum transport studies are scant as low-quality contacts intractable at cryogenic temperatures. Here, temperature-dependent transfer length measurements performed on chemical vapor deposition grown single-layer bilayer WS2 with indium alloy...
Temperature-dependent transport measurements are performed on the same set of chemical vapor deposition (CVD)-grown WS2 single- and bilayer devices before after atomic layer (ALD) HfO2 . This isolates influence low-temperature carrier shows that mobility is not charge impurity limited as commonly thought, but due to another important overlooked factor: interface roughness. finding corroborated by circular dichroic photoluminescence spectroscopy, X-ray photoemission cross-sectional scanning...
Abstract Inspired by superior gas sensing properties of PtSe 2 monolayer and tunable Janus MoSSe monolayer, we study the PtSSe for CO, CO , H O, NH 3 NO molecules using first-principles density functional calculations. We calculate adsorption height energies to assess strength molecules. Then charge transfer from is evaluated. also investigate effects strain external electric field on monolayer. finally reveal origin projected states analysis. Our results suggest that a promising sensor with...
Two-dimensional (2D) layered dielectrics offers a compelling route towards the design of next-generation ultimately compact nanoelectronics. Motivated by recent high-throughput computational prediction LaO$X$ ($X$ = Br, Cl) as an exceptional 2D that significantly outperforms HfO$_2$ even in monolyaer limit, we investigate interface properties between LaOX and archetypal semiconductors monolayer transition metal dichacolgenides (TMDCs) $M$S$_2$ ($M$ Mo, W) using first-principle density...
The Schottky barrier between a metal and semiconductor plays an important role in determining the transport efficiency of carriers improving performance devices. In this work, we systematically studied structure electronic properties heterostructures blue phosphorene (BP) contact with Mo
Edge-functionalization is an important method for the band engineering of nanoribbons (NRs).