Adsorption of 3d transition metal atoms on graphene-like gallium nitride monolayer: A first-principles study

Chen, Guoxiang; Li, Han-Fei; Yang, Xu; Wen, Jun-Qing; Pang, Qi; Zhang, Jianmin

doi:10.1016/j.spmi.2018.01.023

Cited by 32 publications

(4 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…3a , the TDOS of pristine g-GaN demonstrates that it is a semiconductor, consistent with the result of band structure. The PDOS calculations show that the valence-band maximum for pristine g-GaN originates from the N-2p and Ga-4p orbitals, in agreement with the previous results [ 34 , 35 ]. To understand the electron states near the Fermi level, we calculated the PDOS of alkali-metal-adsorbed g-GaN.…”

Section: Resultssupporting

confidence: 91%

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

Cui

Wang

et al. 2018

Nanoscale Res Lett

View full text Add to dashboard Cite

The electronic and optical properties of alkali-metal-adsorbed graphene-like gallium nitride (g-GaN) have been investigated using density functional theory. The results denote that alkali-metal-adsorbed g-GaN systems are stable compounds, with the most stable adsorption site being the center of the hexagonal ring. In addition, because of charge transfer from the alkali-metal atom to the host, the g-GaN layer shows clear n-type doping behavior. The adsorption of alkali metal atoms on g-GaN occurs via chemisorption. More importantly, the work function of g-GaN is substantially reduced following the adsorption of alkali-metal atoms. Specifically, the Cs-adsorbed g-GaN system shows an ultralow work function of 0.84 eV, which has great potential application in field-emission devices. In addition, the alkali-metal adsorption can lead to an increase in the static dielectric constant and extend the absorption spectrum of g-GaN.

show abstract

Section: Resultssupporting

confidence: 91%

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

Cui

Wang

et al. 2018

Nanoscale Res Lett

View full text Add to dashboard Cite

show abstract

“…Moreover, Şahin et al have demonstrated that GaN-ML can form 2D stable nanostructures by phonon frequency spectrum calculations [25]. Recently, our previous paper has also reported that GaN-ML is dynamically stable via phonon calculations, and the calculated Ga-N bond length and cohesive energy are 1.87 Å and -7.85 eV, respectively [26]. Chen et al reported that the 2D GaN-ML is a planar semiconductor with an indirect band gap of 1.95 eV using first-principles calculations a few years ago [27].…”

Section: Introductionmentioning

confidence: 92%

Spatiotemporal distribution characteristics and mechanism analysis of urban population density: A case of Xi'an, Shaanxi, China

Yuan

et al. 2019

Cities

139

View full text Add to dashboard Cite

“…For 2D GaN, the electronic band structure based on density functional theory confirmed that Ga and N atoms vacancies in GaN nanosheets caused n-type and p-type semiconductors, respectively [71]. Moreover, Chen et al [84] performed a first-principles calculation to study the effects of TM atoms adsorption on GaN monolayers. They found that TM adsorption could introduce different electronic properties into the GaN monolayer.…”

Section: Electrical Propertiesmentioning

confidence: 98%

Two-dimensional group-III nitrides and devices: a critical review

Wang

Jiang

et al. 2021

Rep. Prog. Phys.

View full text Add to dashboard Cite

As third-generation semiconductors, group-III nitrides are promising for high power electronic and optoelectronic devices because of their wide bandgap, high electron saturation mobility, and other unique properties. Inspired by the thickness-dependent properties of two-dimensional (2D) materials represented by graphene, it is predicted that the 2D counterparts of group-III nitrides would have similar properties. However, the preparation of 2D group-III nitride-based materials and devices is limited by the large lattice mismatch in heteroepitaxy and the low rate of lateral migration, as well as the unsaturated dangling bonds on the surfaces of group-III nitrides. The present review focuses on theoretical and experimental studies on 2D group-III nitride materials and devices. Various properties of 2D group-III nitrides determined using simulations and theoretical calculations are outlined. Moreover, the breakthroughs in their synthesis methods and their underlying physical mechanisms are detailed. Furthermore, devices based on 2D group-III nitrides are discussed accordingly. Based on recent progress, the prospect for the further development of the 2D group-III nitride materials and devices is speculated. This review provides a comprehensive understanding of 2D group-III nitride materials, aiming to promote the further development of the related fields of nano-electronic and nano-optoelectronics.

show abstract

Adsorption of 3d transition metal atoms on graphene-like gallium nitride monolayer: A first-principles study

Cited by 32 publications

References 40 publications

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

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

Spatiotemporal distribution characteristics and mechanism analysis of urban population density: A case of Xi'an, Shaanxi, China

Two-dimensional group-III nitrides and devices: a critical review

Contact Info

Product

Resources

About