Electronic structure and STM images simulation of defects on hBN/ black-phosphorene heterostructures: A theoretical study

Ospina, D.A.; Cisternas, Eduardo; Duque, C.A.; Correa, J.D.

doi:10.1016/j.susc.2017.11.015

Cited by 5 publications

(3 citation statements)

References 25 publications

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“…292). Recently, several theoretical and experimental efforts were focused on vdW heterostructures such as phosphorene/TMD (Transition metal dichalcogenide), 293 phosphorene/graphene, metal contacts to phosphorene such as Cu (111), Zn(0001), In (110), Ta (110), and Nb(100) surfaces, 294 defected hBN/black phosphorene heterostructures 295 Heterostructures discussed in the text are shown in Fig. 12.…”

Section: Substrate Effectsmentioning

confidence: 99%

Two-dimensional pnictogens: A review of recent progresses and future research directions

Ersan

Kecik

Özçelik

et al. 2019

Applied Physics Reviews

160

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Soon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication of field effect transistors thereof, theoretical studies have predicted that other group-VA elements (or pnictogens), N, As, Sb, and Bi can also form stable, single-layer (SL) structures. These were nitrogene in a buckled honeycomb structure, arsenene, antimonene, and bismuthene in a buckled honeycomb, as well as washboard and square-octagon structures with unusual mechanical, electronic, and optical properties. Subsequently, theoretical studies are followed by experimental efforts that aim at synthesizing these novel 2D materials. Currently, research on 2D pnictogens has been a rapidly growing field revealing exciting properties, which offers diverse applications in flexible electronics, spintronics, thermoelectrics, and sensors. This review presents an evaluation of the previous experimental and theoretical studies until 2019, in order to provide input for further research attempts in this field. To this end, we first reviewed 2D, SL structures of group-VA elements predicted by theoretical studies with an emphasis placed on their dynamical and thermal stabilities, which are crucial for their use in a device. The mechanical, electronic, magnetic, and optical properties of the stable structures and their nanoribbons are analyzed by examining the effect of external factors, such as strain, electric field, and substrates. The effect of vacancy defects and functionalization by chemical doping through adatom adsorption on the fundamental properties of pnictogens has been a critical subject. Interlayer interactions in bilayer and multilayer structures, their stability, and tuning their physical properties by vertical stacking geometries are also discussed. Finally, our review is concluded by highlighting new research directions and future perspectives on the challenges in this emerging field.

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Section: Substrate Effectsmentioning

confidence: 99%

Two-dimensional pnictogens: A review of recent progresses and future research directions

Ersan

Kecik

Özçelik

et al. 2019

Applied Physics Reviews

160

View full text Add to dashboard Cite

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“…For example, Ospina et al found through theoretical STM images that the electronic structure of hBN/BP was found to change depending on the type of defects introduced. These defects can be identified in STM experiments even if they are located below the phosphorus layer [103]. Chiu et al used microbeam X-ray photoelectron spectroscopy and scanning tunneling microscopy/spectroscopy to determine the energy band offsets in the transition metal dihalide heterostructures.…”

Section: Other Characterizationsmentioning

confidence: 99%

Interfacial Coupling and Modulation of van der Waals Heterostructures for Nanodevices

Zhao

et al. 2022

Nanomaterials

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In recent years, van der Waals heterostructures (vdWHs) of two-dimensional (2D) materials have attracted extensive research interest. By stacking various 2D materials together to form vdWHs, it is interesting to see that new and fascinating properties are formed beyond single 2D materials; thus, 2D heterostructures-based nanodevices, especially for potential optoelectronic applications, were successfully constructed in the past few decades. With the dramatically increased demand for well-controlled heterostructures for nanodevices with desired performance in recent years, various interfacial modulation methods have been carried out to regulate the interfacial coupling of such heterostructures. Here, the research progress in the study of interfacial coupling of vdWHs (investigated by Photoluminescence, Raman, and Pump–probe spectroscopies as well as other techniques), the modulation of interfacial coupling by applying various external fields (including electrical, optical, mechanical fields), as well as the related applications for future electrics and optoelectronics, have been briefly reviewed. By summarizing the recent progress, discussing the recent advances, and looking forward to future trends and existing challenges, this review is aimed at providing an overall picture of the importance of interfacial modulation in vdWHs for possible strategies to optimize the device’s performance.

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“…This signi cant discovery has aroused the interest of scholars in the research of 2D materials [2][3][4][5][6][7][8]. Many two-dimensional materials, such as black phosphorene, arsenene, antimonene, germanene, silicene, molybdenum disul de, and boronene [9][10][11][12][13][14][15] have great applications in electronic devices, sensors, energy storage, catalysis, and composite materials [16][17][18][19]. Graphene has amazing mobility and almost zero effective mass of carriers [20] and is an ideal material to replace silicon crystals as eld-effect tubes [21,22].…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and optical properties of B-, N-, and BN-doped black phosphorene using the first-principles

Liu

et al. 2022

J Mol Model

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The structural stability, electronic structure, and optical properties of BN-doped black phosphorene systems at different concentrations were investigated using a density generalized theory approach based on the rst principles. It was found that BN-doped black phosphorene was more stable compared with B and N atom doping. With the increase of doping concentration, the stability of the structure gradually decreases, and the structure of the system with 25% doping concentration is the most stable. The intrinsic and N-doped black phosphorene are direct bandgap semiconductors, and B and BN doping make the black phosphorene change from direct bandgap to indirect bandgap. The total density of states is mainly contributed by the p-state electrons of the B and P atoms, and the N atoms have a role in the local density of states with little contribution to the overall one. The black phosphorene undergoes charge transfer between the B and N atoms. The amount of charge transfer increases with the increase of doping concentration. The BN-doped black phosphorene system is blue-shifted at the absorption and re ection peaks compared to the intrinsic black phosphorene system. The doping makes the dielectric function peaks are shifted to the high energy direction, which leads to an increase in the intensity of the electric eld generated by light, which is bene cial to improve the e ciency of photovoltaic power generation, and the peak of photoconductivity is slightly reduced and shifted to the low energy direction, which is more favorable to the leap of photons, with the most obvious performance when the BN doping concentration is 12.5% and 25%.

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Electronic structure and STM images simulation of defects on hBN/ black-phosphorene heterostructures: A theoretical study

Cited by 5 publications

References 25 publications

Two-dimensional pnictogens: A review of recent progresses and future research directions

Two-dimensional pnictogens: A review of recent progresses and future research directions

Interfacial Coupling and Modulation of van der Waals Heterostructures for Nanodevices

Electronic structure and optical properties of B-, N-, and BN-doped black phosphorene using the first-principles

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