Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations

Hoat, D.M.; Nguyen, Duy Khanh; Ponce‐Pérez, R.; Guerrero-Sánchez, J.; On, Vo Van; Rivas-Silva, J.F.; Cocoletzi, Gregorio H.

doi:10.1016/j.apsusc.2021.149318

“…Doping various atoms can introduce totally different influences on the physical properties of germanene. For instance, the adsorption of alkali metal atoms makes the semimetallic germanene become metallic with Dirac point moving below Fermi level and an opened small bandgap at Dirac point, while the adsorption of halogen atoms could lead to relatively large bandgaps ranging from 0.416 to 1.596 eV, promising for optoelectronic applications [144][145][146]. The adsorption of transition metal atoms (e.g., Ti, Sc, V, Cr, Mn, Fe, and Co) can induce magnetism, while nonmagnetic semiconducting states are realized for Ni, Cu, and Zn adsorption [147,148].…”

Section: Group IVmentioning

confidence: 99%

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications

Chen¹,

Wang²,

Li³

et al. 2022

Preprint

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The advent of graphene opens up the research into two-dimensional (2D) material, which is considered as a revolutionary material in the future. Due to its unique geometric structure, graphene exhibits a series of exotic physical and chemical properties. Besides, single-element-based 2D materials (Xenes) have garnered tremendous interest. At present, 16 kinds of Xenes (silicene, borophene, germanene, phosphorene, tellurene, etc.) have been explored, mainly distributed in the third, fourth, fifth and sixth main groups. The current methods to prepare monolayer or few-layer 2D materials include epitaxy growth, mechanical exfoliation, and liquid phase exfoliation. Although two Xenes (aluminene and indiene) have not been synthesized due to the limitations of synthetic methods or stability of Xenes, other Xenes have been successfully realized by elaborately artificial design and synthesis. Focusing on elemental 2D materials, this review mainly summarizes the recently reported work about tuning the electronic, optical, mechanical, or chemical properties of Xenes via surface modifications achieved by controllable approaches (doping, adsorption, strain, intercalation, phase transition, etc.) to broaden the applications in various fields, including spintronics, electronics, optoelectronics, superconducting, photovoltaics, sensors, catalysis, and biomedicines. These advances in surface modification of Xenes have laid a theoretical and experimental foundation for the development of 2D materials and their practical applications in diverse fields.

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“…Doping various atoms can introduce totally different influences on the physical properties of germanene. For instance, the adsorption of alkali metal atoms makes the semimetallic germanene become metallic with Dirac point moving below Fermi level and an opened small bandgap at Dirac point, while the adsorption of halogen atoms could lead to relatively large bandgaps ranging from 0.416 to 1.596 eV, promising for optoelectronic applications [145][146][147]. The adsorption of transition metal atoms (e.g., Ti, Sc, V, Cr, Mn, Fe, and Co) can induce magnetism, while nonmagnetic semiconducting states are realized for Ni, Cu, and Zn adsorption [148,149].…”

Section: Group IVmentioning

confidence: 99%

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications

Chen¹,

Wang²,

Li³

et al. 2022

Preprint

0

View full text Add to dashboard Cite

The advent of graphene opens up the research into two-dimensional (2D) material, which is considered as a revolutionary material in the future. Due to its unique geometric structure, graphene exhibits a series of exotic physical and chemical properties. Besides, single-element-based 2D materials (Xenes) have garnered tremendous interest. At present, 16 kinds of Xenes (silicene, borophene, germanene, phosphorene, tellurene, etc.) have been explored, mainly distributed in the third, fourth, fifth and sixth main groups. The current methods to prepare monolayer or few-layer 2D materials include epitaxy growth, mechanical exfoliation, and liquid phase exfoliation. Although two Xenes (aluminene and indiene) have not been synthesized due to the limitations of synthetic methods or stability of Xenes, other Xenes have been successfully realized by elaborately artificial design and synthesis. Focusing on elemental 2D materials, this review mainly summarizes the recently reported work about tuning the electronic, optical, mechanical, or chemical properties of Xenes via surface modifications achieved by controllable approaches (doping, adsorption, strain, intercalation, phase transition, etc.) to broaden the applications in various fields, including spintronics, electronics, optoelectronics, superconducting, photovoltaics, sensors, catalysis, and biomedicines. These advances in surface modification of Xenes have laid a theoretical and experimental foundation for the development of 2D materials and their practical applications in diverse fields.

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“…Opening the electronic band gap of graphene, silicene, and germanene has been investigated using structural and chemical modification, [25][26][27][28] as well as application of external factors. 29,30 In addition, researchers have also explored new semiconductor 2D compounds, including silicon carbide (SiC) and germanium carbide (GeC).…”

Section: Introductionmentioning

confidence: 99%

Novel electronic and magnetic features in XC (X = Si and Ge) monolayers induced by doping with group-VA atoms

Ha

¹

,

Duy²,

Dang

³

et al. 2023

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Opening the germanene monolayer band gap using halogen atoms: An efficient approach studied by first-principles calculations

Cited by 33 publications

References 53 publications

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications

Novel electronic and magnetic features in XC (X = Si and Ge) monolayers induced by doping with group-VA atoms

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