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Publications (411)
The larger electric or magnetic Purcell factor demonstrates that the structure can be utilized as an electric or magneto-optical emission project. Their simultaneous realization offers the potential for integrated circuits to achieve selective photon sources. In this study, we put forth a proposal for the simultaneous attainment of substantial elec...
We have investigated the modulation of the trapping potential and trapping force provided by the graphene charge transfer plasmon (CTP) structure that supports two resonance modes. Both the screened bonding dipolar plasmon mode and the charge transfer plasmon mode greatly provide a strong trapping potential and trapping force. The position of the t...
The Friedrich–Wintgen bound state in the continuum (FW BIC) provides a unique approach for achieving high quality factor (Q‐factor) resonance, which has attracted wide attention and promoted the development of various applications. However, the FW BIC is usually considered as accident BIC resulting from the continuous parameters tuning, and a syste...
Two-dimensional (2D) materials, such as graphene and black phosphorus, support deeply confined and tunable plasmons, making them suitable for designing absorbers with ultra-compact size and flexible manipulation. However, the operating frequency of such plasmonic absorbers is difficult to control to the communication band. Here, we propose a metama...
In the field of photocatalysis, new heterojunction materials are increasingly explored to achieve efficient energy conversion and environmental catalysis under visible light and sunlight. This paper presents a study on two newly constructed two‐dimensional van der Waals heterojunctions, Sc2CCl2/MoSe2 and Sc2CCl2/PtSe2, using density‐functional theo...
Van der Waals (vdW) heterostructures provide an effective strategy for exploring and expanding the potential applications of two-dimensional materials. In this study, we employ first-principles density functional theory (DFT) to investigate the geometric, electronic, and optical properties of MoGe2N4/AlN and MoSiGeN4/AlN vdW heterostructures. The s...
The Friedrich-Wintgen bound state in the continuum (FW BIC) provides a unique approach for achieving high quality factor (Q-factor) resonance, which has attracted wide attention and promoted the development of various applications. However, the FW BIC is usually considered as accident BIC resulting from the continuous parameters tuning, and a syste...
Designing efficient and feasible semiconductor visible-light photocatalysts holds great promise for photocatalytic hydrogen production. Herein, three heterojunctions, namely, C2N/GeC, C3N/GeC and g-C3N4/GeC, were designed and systematically explored using first-principles calculations. Through systematic research on electronic properties, it has be...
The coupling of two-dimensional van der Waals heterojunctions is an effective way to achieve photocatalytic hydrogen production. This paper designs the MoxW1-xS2/AlN (x = 0, 0.25, 0.5, 0.75, 1) van der Waals heterojunction as a possible photocatalytic material. By using first-principles calculations, the effects of different Mo/W ratios on the band...
To find efficient and low-cost photocatalysts for water splitting to produce hydrogen to reduce environmental pollution. Herein, the photocatalytic properties of AlN/TMOs heterojunctions formed by coupling MoO2 and WO2 of...
Finding efficient and environmentally friendly semiconductor photocatalysts can effectively alleviate the energy crisis and environmental pollution. Based on first-principles calculations, this work focused on the electronic, Bader charge and optical properties of the TMDs/MN heterojunctions. The results showed that the AlN/WS2 and GaN/WS2 heteroju...
In this Letter, we report on the phase-controlled topological plasmons in 1D graphene nanoribbons (GNRs) based on a Su−Schrieffer−Heeger (SSH) model variant. By considering the dipole–dipole mode interactions, we first study the normal SSH model by an effective Hamiltonian and calculate the Zak phase as a topological invariant, finding that it is n...
Two-dimensional materials support deeply confined and tunable plasmonic modes, which have great potential for achieving device miniaturization and flexible manipulation. In this paper, we propose a diffraction-unlimited system (period ≈ λ/20) composed of borophene layer and perovskite grating to investigate the strong coupling between the borophene...
The development and design of efficient photoelectric catalysts is of great significance for environmental friendliness. This paper is devoted to finding a new two-dimensional van der Waals heterojunction to realize hydrogen production from water splitting. Based on first-principles calculations, a direct type-Z C3N/WS2 heterojunction was successfu...
Two-dimensional materials support deeply confined and tunable plasmonic modes, which have great potential for achieving device miniaturization and flexible manipulation. In this paper, we propose a diffraction-unlimited system (period ≈ λ/20) composed of borophene layer and perovskite grating to investigate the strong coupling between the borophene...
Two-dimensional (2D) piezoelectric semiconductor nanomaterials with strong optical absorbance in the visible range are promising applications in piezotronics, phototronics, and piezo-phototronics. We determine and analyze the stability, electronic structures, piezoelectricity, and optical properties of MXY (M = Sb, As; X = Te, Se; Y = Br, I) monola...
The construction of an environmentally friendly and efficient photocatalyst for water splitting and hydrogen evolution can effectively alleviate the pressure of current energy consumption and environmental pollution. Herein, by using first-principles calculations, the MoSiGeN4/SiC heterojunction was studied as a potential photocatalyst. According t...
The tunable and highly confined plasmon in 2D materials paves the way for designing 2D materials capable of manipulating light on a
subwavelength scale, making them suitable for the design of optical modulators in ultracompact sizes. Herein, a continuously adjustable
modulator in the telecommunication band is theoretically presented by the strong c...
Terahertz sensing is one of the most promising methods for label-free and noninvasive detection of refractive index changes. However, the figure of merit (FOM) of terahertz sensors in practical applications has been low. In this paper, a metamaterial sensor based on simple stacking of gold and silicon dioxide is proposed, through whose structure no...
We present a density functional theory study on the electronic structures and magnetism of IIIA-nitride (AlN, GaN and InN) monolayer doped with Ag atoms. The results show that the IIIA-nitride binary compounds doped with low concentrations of Ag atoms are spin-polarized with 2.0 µB. Among them, single layer AlN and GaN doped with Ag atoms both demo...
Two-dimensional (2D) intrinsic ferromagnetic (FM) materials with high Curie temperature (T C ), half-metallicity, and ferroelasticity are promising for applications in spintronic devices. We propose a kind of new 2D CrX 2 (X...
A type-II van der Waals heterojunction photocatalyst is not only an ideal material for hydrogen production by water splitting, but also an important way to improve efficiency and produce low-cost clean energy. In this work, we unexpectedly found that monolayers of AlN and C2N, g-C3N4, and C6N8 all formed type-II heterojunctions according to density...
The coupling of two-dimensional (2D) layered materials is an effective way to realize photocatalytic hydrogen production. Herein, using first-principles calculations, the photocatalytic properties of GaN/CNs heterojunctions formed by two different graphite-like carbon nitride materials and GaN monolayer are discussed in detail. The results show tha...
The exciton binding energy, mechanical properties, and lattice thermal conductivity of monolayer BiI3are investigated on the basis of first principle calculation. The excitation energy of monolayer BiI3is predicted to be 1.02 eV, which is larger than that of bulk BiI3(0.224 eV). This condition is due to the reduced dielectric screening in systems....
The first-principles calculations demonstrate that covalently bonded (cb) heterojunction and van der Waals (vdW) heterojunction can coexist in silicene/CeO2 heterojunctions, due to the different stacking patterns. Especially, the cb heterojunction with band gap of 1.97 eV, forms a type-II heterojunction, exhibits good redox performance and has high...
Due to 100% spin polarization, half-metallic systems play a great role in the development of nanoscale spintronic devices. We conduct extensive calculations within spin-polarized density functional theory to design a newtpye two-dimensional Cr2O3 monolayer. The monolayer demonstrates robust stability as verified by formation energy, phonon spectrum...
Ceria-supported Pd single-atom catalysts (SACs) are important catalysts to catalyze the CO oxidation, often used in three-way catalysts to treat automobile exhaust gases. This paper uses density functional theory (DFT) calculations and transition state theory to systematically study the effect of Ga atom doping on the performance of the Pd/CeO2 SAC...
Designing and researching suitable photoelectrocatalyst for water splitting is crucial for the utilization of renewable and inexhaustible solar energy but remains a huge conundrum. Here, using first principles calculations, the two-dimensional PtSe2/hBN heterojunction was first conceived. However, the rapid recombination of electrons and holes will...
Excitonic solar cell (XSC) based on 2D materials has attracted widespread attention. Using first‐principles calculations, XSC with high theoretical power conversion efficiency of around 21.3% formed by the combination of 2D cross‐linked hexagonal boron nitride‐graphene (BN‐GR) and black phosphorene (BP) is rationally designed in this work. The good...
We propose a composite metasurface composed of InSb strips and SiO2a substrate, which can achieve multi-band coherent perfect absorption (CPA) in the terahertz frequency range. It is demonstrated that InSb strips of different sizes support independent plasmon resonances at different frequencies, which is a linear superposition of each subunit. The...
Researches on environmentally friendly semiconductor photocatalysts for efficient photocatalytic hydrogen evolution have important practical significance. Here, using first-principles calculations, the CeO2(111)/hBN heterojunction was conceived. The influence of the interface effect on the structural, electronic and optical properties of the hetero...
Cylindrical waveguides have a wide range of applications in photonic integrated circuits because of lower transmission losses. This paper proposes a directional coupler composed of a cylindrical silicon nanowire waveguide and a metal-based cylindrical hybrid plasmon waveguide. The coupling characteristics of the coupler are analyzed theoretically a...
Development photoinduced photocatalysts is a significant approach to improve photocatalytic activity and stability. Herein, we successfully prepared Zn[Formula: see text]Cd[Formula: see text]S/CeO 2 composites by a facile method. It is found that the Zn[Formula: see text]Cd[Formula: see text]S/CeO 2 composites show significant enhancement in photoc...
The development of non-precious, high-performance and environmentally friendly wide band gap semiconductor composite photocatalysts is highly desirable. Here, we report 2D GaN/SiC-based multilayer van der Waals heterostructures for hydrogen evolution and visible-light water splitting by using state-of-the-art hybrid density functional theory. We un...
Very recently, an important two-dimensional material, MoSi2N4, was successfully synthesized. However, pure MoSi2N4 has some inherent shortcomings when used in photocatalytic water splitting to produce hydrogen, especially a low separation rate of photogenerated electron-hole pairs and a poor visible light response. Interestingly, we find that the M...
We propose a convertible metamaterial device with triple-band and broad-band characteristics based on bulk Dirac semimetal (BDS) and vanadium dioxide (VO2). When VO2 is in the fully insulating state, the proposed convertible device presents three distinctive absorption peaks in terahertz (THz) range with absorptance >98%. Absorptance spectra analys...
2D/2D hBN/g-C3N4 nanocomposites with good photocatalytic activity have been successfully prepared, and fortunately defected 2D material heterojunction opens up new possibilities for high-efficiency photocatalysts. However, its photocatalytic performance and mechanism in splitting water have not been thoroughly explored. Herein, using the state-of-t...
Searching economical low-dimensional materials to construct the high-efficient type-II heterojunction photocatalyst for splitting water into hydrogen is very strategic. In this study, using the first-principles calculations, we construct a novel SiH/CeO2(111) type-II heterojunction with a very small lattice mismatch of less than 1%. Based on AIMD s...
Searching for low-dimensional materials with high Curie temperature and full spin–polarization ratio is an urgent demand for the rapidly evolving spintronic industry. Here, the stability, electronic structures, and magnetic properties of two-dimensional hexagonal CrOX (X=F, Cl, Br) monolayers were investigated with density functional theory. The Cr...
Exploring simple, efficient and low cost photocatalyst for hydrogen production driven by visible light is a hot topic in the field of photocatalysis. Here, we study a two-dimensional (2D) layered SiC/C2N van der Waals heterostructure as a possible visible light photocatalyst for water splitting, using hybrid density functional theory calculations....
Single-walled carbon nanotubes (SWCNTs) modified g-C3N4 nanocomposites have attracted extensive attention due to their good photocatalytic activity for water splitting in the visible region, but the theoretical research on the enhancement mechanism is still lacking. Using first-principles hybrid density functional calculations, the potential photoc...
On the basis of density functional theory, we predicted that Janus CrTeI and CrSeBr monolayers possess highly energetic, dynamical, and mechanical stability. Due to noncentral symmetry, the two monolayers exhibit vertical piezoelectricity with large piezoelectric coefficients d31 (1.745 and 1.716 pm/V for CrBSe and CrTeI, respectively), which are l...
Although great achievements have been obtained in metasurfaces so far, the functionalities of these devices are almost static. The dynamically adjustable devices are far less explored. Here we theoretically and numerically demonstrate a veritable reconfigurable terahertz wavefront modulator (TWM). The designed TWM can dynamically shape the wavefron...
A narrowband total absorber consists of a single layer of graphene, photoactive silicon and bulk Dirac semimetal and has been studied in three different ways for light absorption control without changing the geometry of the structure. Numerical simulation results show that the total absorption is achieved in the narrow spectral range by the critica...
A suspended monolayer graphene has only about 2.3% absorption rate in visible and infrared band, which limits its optoelectronic applications. To significantly increase graphene's absorption efficiency, a tunable dual-band and polarization-insensitive coherent perfect absorber (CPA) is proposed in the mid-infrared regime, which contains the silicon...
Here we study the possibility to achieve polarization-independent optical absorption in stacked anisotropic 2D material nanostructures (NSs). Focusing on black phosphorus, we demonstrate that by crossly stacking even-layered NSs, surface plasmons resonant in the two lattice directions are complementary excited, leading to polarization-independent a...
Titanium dioxide (TiO2) has promising applications in photocatalysis and energy-conversion devices due to its low cost, outstanding conductivity, and excellent electrochemical activity. However, its large band gap and insufficient-sized surface hinder its applications under visible-light radiation, so designing a highly efficient TiO2-based electro...
The chiroptical response is ubiquitous and offers additional degrees of freedom in modern optics systems which require high efficiency and moderate modulation. Exhibiting a fascinating electromagnetic performance, a graphene–metamaterial hybrid structure is an ideal candidate to satisfy the requirements for chiroptical response. Herein, the interac...
The tumor microenvironment is composed of numerous cell types, including tumor, immune and stromal cells. Cancer cells interact with the tumor microenvironment to suppress anticancer immunity. In this study, we molecularly dissected the tumor microenvironment of breast cancer by single-cell RNA-seq. The breast tumor microenvironment was profiled by...
The tumor microenvironment is composed of numerous cell types, including tumor, immune and stromal cells. Cancer cells interact with the tumor microenvironment to suppress anticancer immunity. In this study, we molecularly dissected the tumor microenvironment of breast cancer by single-cell RNA-seq. The breast tumor microenvironment was profiled by...
Visible-light driven photocatalytic hydrogen production from water is a hotspot in renewable energy. Recent experiments have proved that 2D/2D SiC/g-C3N4 heterojunctions possess greatly improved photocatalytic activities, while still lacking are fundamental understanding of the complex mechanism as well as rationally designed schemes for high-effec...
Controlling the polarization state of light is an important research region in optics due to its enormous potential. Conventional polarization converters inevitably express huge size and low efficiency, which run counter to the requirement of modern optics. Herein, a frequency-dependent multi-functional metasurface is proposed and researched to des...
Jun Luo Yi Su Zhai Xiang- [...]
Ling Wang
We propose that perfect light absorption can occur in a planar array of cross sheet with bulk Dirac semimetal (BDS). Comprehensive analysis about single cross sheet with BDS shows that the extinction cross section per unit area can reach 24.8, which is four times as much as that of graphene. Further, the proposed perfect absorber can realize tuning...
A subwavelength terahertz plasmonic waveguide based on bulk Dirac semimetal (BDS)-insulator-metal (BIM) structure is investigated, which indicates that there is an optimized frequency range with the better confinement as well as lower loss. A broadband mode confinement up to λ0/15 with a relatively low loss of 1.0 dB/λ0 can be achieved. We also sho...
Graphene-based and metal-based surface plasmon polariton (SPP) waveguides have attracted intense research interest because they can be used as basic components to propagate electromagnetic (EM) waves in future optical integrated systems. We propose a directional coupler, which can couple EM energy from a multilayer-graphene-based cylindrical long-r...
Immunoglobulin A Nephropathy (IgAN) is the most common glomerulonephritis worldwide. The pathologic hallmark of IgAN is immune complex deposited in glomerular mesangium, which induces inflammation and affects the kidney's normal functions. The exact pathogenesis of IgAN, however, remains obscure. Further, in current clinical practice, the diagnosis...
Plasmonic nanoparticle (NP) dimer structures, forming highly intense areas of field enhancement called hotspots, have been the focus of extensive investigations due to their phenomenal light manipulating abilities. However, the actual morphology of the NP hotspot is usually distinct from the ideal nanosphere dimer model. In this study, we demonstra...
The tumor microenvironment is composed of numerous cell types, including tumor, immune and stromal cells. Cancer cells interact with the tumor microenvironment to suppress anticancer immunity. In this study, we molecularly dissected the tumor microenvironment of breast cancer by single-cell RNA-seq. We profiled the breast cancer tumor microenvironm...
The perfect plasmon-induced absorption (PIA) effect is achieved in a simple plasmonic system, composed of two rectangle cavities side-coupled to the metal-insulator-metal (MIM) waveguide with a barrier. The transmission properties of the system are calculated by the finite-difference time-domain (FDTD) method and theoretically explained by the thre...