2020
DOI: 10.1016/j.molliq.2020.113803
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Electronic and optical properties of borophene and graphene with an adsorbed ionic liquid: A density functional theory study

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Cited by 11 publications
(3 citation statements)
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“…The results showed that DE of the IL on graphene is weaker than that of borophene. 104 Fig. 4(D) shows the charge density difference for B-IL and G-IL structures.…”
Section: Computational Aspects and Studies To Investigate Borophene S...mentioning
confidence: 99%
“…The results showed that DE of the IL on graphene is weaker than that of borophene. 104 Fig. 4(D) shows the charge density difference for B-IL and G-IL structures.…”
Section: Computational Aspects and Studies To Investigate Borophene S...mentioning
confidence: 99%
“…The ionic liquid (IL) shows electromagnetic interaction with electrons on the 2D materials, causing a redistribution of electric charge in both graphene and borophene sheets as a result of the polarization of the IL, which was based on the Bader analysis and charge density calculations. 71 A DFT study was used to determine the energy and electronic sensitivity of the borophene sheet (B 36 ) toward four nucleobases, in which cytosine has the greatest impact on the borophenes conductivity, facilitating the generation of the greatest electrical signal. Thymine has the second biggest peak, whereas adenine and guanine have the lowest peaks.…”
Section: Electronic Propertiesmentioning
confidence: 99%
“…8 However, computational works have predicted that novel phases turn borophene into an extraordinary allotropy compared with other 2D materials. [8][9][10] Among these 16 borophene structures, the more stable and well-known ones are b 12 and c 3 , which are phases more commonly obtained in experimental processes. 11 It is worth mentioning that the various hexagonal structures indicate high polymorphism grades on the borophene layers, which could be benecial in multilayered systems because the structures or bonding tend to change or deform before breaking during the growth process.…”
Section: Introductionmentioning
confidence: 99%