Sheng‐Yi Xie

ORCID: 0000-0002-9369-0914
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About
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Research Areas
  • Graphene research and applications
  • 2D Materials and Applications
  • Chalcogenide Semiconductor Thin Films
  • Physics of Superconductivity and Magnetism
  • Advanced Condensed Matter Physics
  • ZnO doping and properties
  • Magnetic and transport properties of perovskites and related materials
  • MXene and MAX Phase Materials
  • Semiconductor materials and devices
  • Advancements in Battery Materials
  • Quantum Dots Synthesis And Properties
  • Plasma Diagnostics and Applications
  • Boron and Carbon Nanomaterials Research
  • Transition Metal Oxide Nanomaterials
  • Rare-earth and actinide compounds
  • Phase-change materials and chalcogenides
  • Muon and positron interactions and applications
  • Inorganic Chemistry and Materials
  • Electronic and Structural Properties of Oxides
  • Iron-based superconductors research
  • Catalysis and Oxidation Reactions
  • Metal and Thin Film Mechanics
  • Polymer composites and self-healing
  • Corrosion Behavior and Inhibition
  • Diamond and Carbon-based Materials Research

Hunan University
2017-2025

Harbin Medical University
2025

Second Affiliated Hospital of Harbin Medical University
2025

University of Science and Technology Liaoning
2025

Institute of Applied Technology
2025

Hilong (China)
2025

Monash University
2024

Zhejiang Institute of Special Equipment Inspection
2021-2023

State Key Laboratory on Integrated Optoelectronics
2010-2019

Jilin University
2010-2019

A systematic study of 32 honeycomb monolayer II-VI semiconductors is carried out by first-principles methods. While none the two-dimensional (2D) structures can be energetically stable, it appears that BeO, MgO, CaO, ZnO, CdO, CaS, SrS, SrSe, BaTe, and HgTe monolayers have a good dynamic stability. The stability five oxides consistent with work published Zhuang et al. [Appl. Phys. Lett. 103, 212102 (2013)]. rest compounds in form are dynamically unstable, revealed phonon calculations. In...

10.1103/physrevb.92.115307 article EN publisher-specific-oa Physical Review B 2015-09-21

Very recently, a new superconductor with Tc = 80 K has been reported in nickelate (La3Ni2O7) at around 15–40 GPa conditions (Nature, 621, 493, 2023), which is the second type of unconventional superconductor, besides cuprates, above liquid nitrogen temperature. However, phase diagram plotted this report was mostly based on transport measurement under low-temperature and high-pressure conditions, assumed corresponding X-ray diffraction (XRD) results were carried out room This encouraged us to...

10.1021/jacs.3c13094 article EN Journal of the American Chemical Society 2024-03-08

Reported here is femtosecond laser mediated bandgap tailoring of graphene oxides (GOs) for direct fabrication graphene-based microdevices. When pulses were used to reduce and pattern GO, oxygen contents in the reduced region could be modulated by varying power. In this way, GO was precisely from 2.4 0.9 eV tuning power 0 23 mW. Through first-principle study, essence proved reduction induced oxygen-content modulation. As representative illustrations, bottom-gate FETs fabricated situ using as...

10.1021/jp209843m article EN The Journal of Physical Chemistry C 2012-01-09

We present a simple and efficient approach to evaluate the formation energy and, in particular, ionization (IE) of charged defects two-dimensional (2D) systems using supercell approximation. So far, first-principles results for such can scatter widely due divergence Coulomb with vacuum dimension, denoted here as L_{z}. Numerous attempts have been made past fix problem under various approximations. Here, we show that be resolved without any assumption, converged IE obtained by an...

10.1103/physrevlett.114.196801 article EN publisher-specific-oa Physical Review Letters 2015-05-12

Two-dimensional (2D) honeycomb systems made of elements with d electrons are rare. Here, we report the fabrication a transition metal (TM) 2D layer, namely, hafnium crystalline layers on Ir(111). Experimental characterization reveals that Hf layer has its own lattice, morphologically identical to graphene. First-principles calculations provide evidence for directional bonding between adjacent atoms, analogous carbon atoms in Calculations further suggest freestanding could be ferromagnetic...

10.1021/nl4019287 article EN Nano Letters 2013-09-09

We report on the fabrication of a NO2 gas sensor from room-temperature reduction graphene oxide(GO) via two-beam-laser interference (TBLI). The method TBLI gives distribution periodic dissociation energies for oxygen functional groups, which are capable to reduce oxide hierarchical nanostructures, holds great promise gaseous molecular adsorption. fabricated reduced oxide(RGO) enhanced sensing response in and accelerated response/recovery rates. It is seen that, 20 ppm NO2, (Ra/Rg) based RGO...

10.1038/s41598-018-23091-1 article EN cc-by Scientific Reports 2018-03-14

A graphenelike two-dimensional boron honeycomb is inherently prohibited due to its empty \ensuremath{\pi} valence band. Based on chemical intuition and first-principles calculations, we design a crystal ${\mathrm{MoB}}_{4}$ with two honeycombs sandwiching triangular molybdenum layer. It has the attractive electronic structure of double Dirac cones near Fermi level high velocity, which are contributed by coupling Mo $d$ orbitals B ${p}_{z}$ orbitals. Such metal stabilized system could even...

10.1103/physrevb.90.035447 article EN Physical Review B 2014-07-28

A novel heterostructured ZnO/ZnS ring structure has been synthesized. The formation process of the is attributed to strain induced bending that arises mainly from lattice mismatch between ZnO and ZnS. This growth model in consistent electrostatic proposed previously about nanorings, nanosprings nanohelices, but it shows dominant contribution interface for such a special case. provides an ideal candidate investigate optoelectronics structured II-VI semiconductors.

10.1002/adma.200602698 article EN Advanced Materials 2007-07-24

In this review, we summarize the recent developments of 2D boron based crystals. The theoretical design, possible experimental realization strategies and their potential technical applications are presented discussed.

10.1039/c5nr04359j article EN Nanoscale 2015-01-01

The transition metal dichalcogenide (TMD)-metal interfaces constitute an active part of TMD-based electronic devices with optimized performances. Despite their decisive role, current strategies for nanoscale tuning remain limited. Here, we demonstrate in the WSe2/Au interface by twist engineering, capable modulating WSe2 carrier doping from intrinsic p-type to n-type. Scanning tunneling microscope/spectroscopy gives direct evidence enhanced interfacial interaction induced as angle respect...

10.1021/acsnano.2c00916 article EN ACS Nano 2022-03-14

Based on first-principles calculations, we designed for the first time a boron-kagome-based two-dimensional MgB6 crystal, in which two boron kagome layers sandwich triangular magnesium layer. The lattice is metallic with several bands across Fermi level, and among them Dirac point appears at K of Brillouin zone. This metal-stabilized system displays electron-phonon coupling, superconductivity critical transition temperature 4.7 K, thus it another possible superconducting Mg-B compound...

10.1039/c4cp03728f article EN Physical Chemistry Chemical Physics 2014-11-07

In this study we report a direct, atomic-resolution imaging of calcined Au24Pd1 clusters supported on multiwall carbon nanotubes by employing aberration-corrected scanning transmission electron microscopy. Using gold atoms as mass standards, confirm the cluster size to be 25 ± 2, in agreement with Au24Pd1(SR)18 precursor used synthesis. Concurrently, Density-Functional/Basin-Hopping computational algorithm is employed locate low-energy configurations free cluster. Cage structures surrounding...

10.1039/c3nr01852k article EN Nanoscale 2013-01-01

Ge–Sb–Te superlattice (GST-SL) is a newly emerging electronic material for nonvolatile phase-change memory with ultralow energy cost. However, its switching mechanism still unclear intensive debates. In this work, by first-principles calculations and an electron counting model study, we study the possible of phase change accompanying property transition GST-SL. GST-SL are separated into individual layers van der Waals gaps. We demonstrate that both global chemical stoichiometry local layer...

10.1109/tnano.2017.2779579 article EN IEEE Transactions on Nanotechnology 2017-12-06

Very recently, a new superconductor with Tc = 80 K was reported in nickelate (La3Ni2O7) at around 15 - 40 GPa conditions (Nature, 621, 493, 2023) [1], which is the second type of unconventional superconductor, beside cuprates, above liquid nitrogen temperature. However, phase diagram plotted this report mostly based on transport measurement low temperature and high pressure conditions, assumed corresponding X-ray diffraction (XRD) results carried out room This encouraged us to carry situ...

10.48550/arxiv.2311.09186 preprint EN cc-by-nc-nd arXiv (Cornell University) 2023-01-01

Substitutional doping properties of silicon dioxide are investigated systematically with ab initio calculations. The dopants include a range elements from group-III, group-V, and group-VII. We find that ${\text{SiO}}_{2}$ has relatively symmetric profile in terms its ionization energies, i.e., shallow acceptor levels donor both predicted, despite wide experimental band gap 9.65 eV. best candidates for $p$-type $n$-type ${\text{Al}}_{\text{Si}}$ ${\text{P}}_{\text{Si}}$ calculated energy 0.86...

10.1103/physrevb.82.155132 article EN Physical Review B 2010-10-22

Abstract Raman spectroscopy, synchrotron angle-dispersive X-ray diffraction (ADXRD), first-principles calculations, and electrical resistivity measurements were carried out under high pressure to investigate the structural stability transport properties of metavanadate MgV 2 O 6 . The results have revealed coordination change vanadium ions (from 5+1 6) at around 4 GPa. In addition, a pressure-induced structure transformation from C2 / m phase in was detected above 20 GPa, both phases...

10.1038/srep38566 article EN cc-by Scientific Reports 2016-12-07

Abstract The ionization of dopants is a crucial process for electronics, yet it can be unexpectedly difficult in two-dimensional materials due to reduced screening and dimensionality. Using first-principles calculations, here we propose dopant semiconductors where charge carriers are only excited set defect-bound band edge states, rather than the true as case three-dimensions. These states have small enough energies but large spatial delocalization. With modest defect density, transport...

10.1038/s41524-018-0145-0 article EN cc-by npj Computational Materials 2019-01-08

Aluminum and its alloys are widely used in the busbar structures of electrolytic aluminum production. However, they prone to corrosion wear damage during use, leading a decline current-transmission efficiency potentially causing safety issues. To repair damaged busbars, this paper explores feasibility using cold spraying technology for surface restoration. Using 6063 alloy as substrate, AlZn/nickel-plated graphite composite coatings were applied through spraying. The effects different...

10.3390/ma18020388 article EN Materials 2025-01-16
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