Alkali-metal-adsorbed g-GaN monolayer: ultralow work functions and optical properties

Cui, Zhen; Wang, Xia; Li, Enling; Ding, Yingchun; Sun, Chengliang; Sun, Minglei

doi:10.1186/s11671-018-2625-z

Cited by 87 publications

(28 citation statements)

References 39 publications

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“…[ 30 ] The work function of GaN NWs after adsorption of different alkali metals can be obtained from Ref. [ 20 ] . The QE after emission can be calculated as:

\begin{matrix} QE = \frac{J}{I_{0} S} \end{matrix}

where I 0 is the intensity of the incident light, and S is the surface area of the light incident surface.…”

Section: Methodsmentioning

confidence: 99%

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Light Absorption of GaN Nanowire Array Cathode with Alkali Metal Nanoparticle Modified on the Surface

Liu

Zhangyang

2021

Part & Part Syst Charact

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Since the adsorption of alkali metals is necessary for the negative electron affinity (NEA) of the photocathode, light absorption models of GaN nanowire (NW) arrays with alkali metal (Li, Na, K, and Cs) nanoparticles (NPs) modified on the NW surface based on the finite difference time domain (FDTD) method are constructed. The absorption spectra of hemispherical, spherical alkali metal NPs adsorbed on the outer surface of the NW, and spherical alkali metal embedded on the inner surface and center of the NW are studied. When the ratio of NW diameter to period (D/P) is greater than 0.5, the adsorption of alkali metal NPs cannot improve the absorption of GaN NW arrays. Alkali metal decoration can cause the absorption gain of NW arrays and optical loss of NPs, so the diameter and spacing of alkali metal NPs need to be balanced. When Li NPs are embedded in NW, plasmons can enhance the generation of electron‐hole pairs, making GaN NWA obtain higher optical absorption and quantum efficiency. Therefore, the method of Li and Cs NPs embedded in GaN NW can provide a reference for the process NEA design, which will contribute to the development of the ultraviolet photocathode with high absorption characteristics.

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“…[ 30 ] The work function of GaN NWs after adsorption of different alkali metals can be obtained from Ref. [ 20 ] . The QE after emission can be calculated as:

\begin{matrix} QE = \frac{J}{I_{0} S} \end{matrix}

where I 0 is the intensity of the incident light, and S is the surface area of the light incident surface.…”

Section: Methodsmentioning

confidence: 99%

“…also believed that the bandgap and work function of GaN NWs and 2D materials can be reduced by alkali‐metal adsorption. [ 19,20 ] However, so far, there is still a lack of theoretical research on the changes in the light absorption spectrum of GaN NW arrays after alkali metal modification on NW surface.…”

Section: Introductionmentioning

confidence: 99%

Light Absorption of GaN Nanowire Array Cathode with Alkali Metal Nanoparticle Modified on the Surface

Liu

Zhangyang

2021

Part & Part Syst Charact

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“…First‐principles calculations were performed using the Vienna ab initio simulation package (VASP), which is based on the density functional theory (DFT) in a plane‐wave basis set with the projector‐augmented wave method. The exchange correlation functional was approximated by the generalized gradient approximation of Perdew, Burke, and Ernzerhof (GGA‐PBE) .…”

Section: Details Of the Calculation Methodsmentioning

confidence: 99%

Effect on Schottky Barrier of Graphene/WS₂ Heterostructure With Vertical Electric Field and Biaxial Strain

Zheng

et al. 2019

Physica Status Solidi (b)

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Graphene has been widely used in many applications, such as sensors, fieldeffect transistors, and integrated circuits due to its high strength and excellent electrical and thermal conductivity. Its lack of a band gap, however, means that applications in some fields are limited. In this paper, using first principles calculations based on the density functional theory method, the electronic properties of graphene/WS 2 heterostructures under electric field and in-plane biaxial strain are investigated. It is found that the two materials are subject to weak van der Waals forces after stacking. The band gap of WS 2 in the graphene/WS 2 heterostructure is reduced by 0.57 eV compared to the intrinsic WS 2 band gap. An n-type Schottky contact with a barrier height of 0.22 eV is formed. In addition, an n-type to p-type Schottky contact transition can be achieved by increasing the applied vertical electric field on the graphene/WS 2 heterostructure. The variation of the barrier heights ϕ Bn and ϕ Bp of the graphene/WS 2 heterojunction with strain is sensitive. However, plane strain can only change the height of the Schottky barrier; the Schottky contact cannot change from n-type to p-type with in-plane biaxial strain. The results suggest that there is a potential application of graphene/ WS 2 heterostructures in Schottky devices.

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“…At the same time, due to the unique confinement structure, 2D GaN has new mechanical, 11,12 electronic and optical characteristics 13 . And they could be effectively controlled by chemical functionalization, 14 electric field, 15 doping, 16‐21 and adsorption 22‐25 . These make researchers have a great interest on 2D GaN, which is prospective for playing an important role in nano‐devices such as sterilization and water‐purification applications.…”

Section: Introductionmentioning

confidence: 99%

Theoretical research on p‐type doping two‐dimensional GaN based on first‐principles study

Liu

2020

Int J Energy Res

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By using first principles, the p-doping mechanism of two-dimensional GaN with buckled structure is discussed in detail under various doping configurations, including different doping elements, positions, and concentrations. The research implies that difference in electronegativity between three doping elements: Be, Zn, Mg and two-dimensional GaN results in a significant change in atomic structure and charge distribution. When Be, Zn, and Mg atoms are doped at Ga position, doping process in two-dimensional GaN is easier because their formation energies are 1.684, 4.630, and 3.390 eV, respectively, which are lower than doped at N position. In addition, Ga doping site is more favorable for p-type doping because bandgap and work function of two-dimensional GaN are reduced and it would convert into p-type semiconductor when a Ga atom is replaced by dopants. K E Y W O R D Sfirst principles, formation energy, optoelectronic properties, p-type doping, twodimensional GaN

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Alkali-metal-adsorbed g-GaN monolayer: ultralow work functions and optical properties

Cited by 87 publications

References 39 publications

Light Absorption of GaN Nanowire Array Cathode with Alkali Metal Nanoparticle Modified on the Surface

Light Absorption of GaN Nanowire Array Cathode with Alkali Metal Nanoparticle Modified on the Surface

Effect on Schottky Barrier of Graphene/WS₂ Heterostructure With Vertical Electric Field and Biaxial Strain

Theoretical research on p‐type doping two‐dimensional GaN based on first‐principles study

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Alkali-metal-adsorbed g-GaN monolayer: ultralow work functions and optical properties

Cited by 87 publications

References 39 publications

Light Absorption of GaN Nanowire Array Cathode with Alkali Metal Nanoparticle Modified on the Surface

Light Absorption of GaN Nanowire Array Cathode with Alkali Metal Nanoparticle Modified on the Surface

Effect on Schottky Barrier of Graphene/WS2 Heterostructure With Vertical Electric Field and Biaxial Strain

Theoretical research on p‐type doping two‐dimensional GaN based on first‐principles study

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Effect on Schottky Barrier of Graphene/WS₂ Heterostructure With Vertical Electric Field and Biaxial Strain