Tunable Schottky barrier and electronic properties in borophene/g-C2N van der Waals heterostructures

Jiang, Jiawei; Wang, X.C.; Song, Yu; Mi, Wenbo

doi:10.1016/j.apsusc.2018.01.140

Cited by 30 publications

(17 citation statements)

References 33 publications

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“…According to the PDOS of the heterostructure with Li, we found that the whole system remained metallic after the lithiation process (Figure b), in good accordance with previous reports. ,− On the basis of the above analysis, it can be inferred that 2-layer borophene could have a better adsorption property of Li, and the expansive work could be done in the future.…”

Section: Resultssupporting

confidence: 90%

“…Thus, it is very important to find a new alternative basis. There are plenty of research studies focusing on the borophene-based heterostructures, including borophene/TMDs (MoS 2 , MoSe 2 , WS 2 , and WSe 2 ), − borophene/IV-enes (graphene, silicene, germanene, and stanine), borophene/V-enes (blue phosphorene, black phosphorene, arsenene, and antimonene), , and so on. , On the basis of first-principles calculations, these materials are predicted to be potential candidates for nanoelectronics, including anode materials for alkali metal ion batteries. , At present, the research studies of borophene-based materials for LIB applications are still based on theoretical calculations. According to previous work, it is generally accepted that borophene has high specific capacity , and high mechanical strength with metallicity, but the properties of the borophene-based heterostructures do not inherit well that of the monolayer borophene.…”

Section: Introductionmentioning

confidence: 99%

“…There are plenty of research studies focusing on the borophene-based heterostructures, including borophene/TMDs (MoS 2 , MoSe 2 , WS 2 , and WSe 2 ), 16−18 borophene/IV-enes (graphene, silicene, germanene, and stanine), 16 borophene/V-enes (blue phosphorene, black phosphorene, arsenene, and antimonene), 16,19 and so on. 20,21 On the basis of first-principles calculations, these materials are predicted to be potential candidates for nanoelectronics, including anode materials for alkali metal ion batteries. 18,19 At present, the research studies of borophene-based materials for LIB applications are still based on theoretical calculations.…”

Section: Introductionmentioning

confidence: 99%

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High-Performance Borophene/Graphene Heterostructure Anode of Lithium-Ion Batteries Achieved via Controlled Interlayer Spacing

Zhou

Yang

et al. 2020

ACS Appl. Energy Mater.

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Borophene has been predicted to be a potential anode material of lithium-ion batteries because of its high specific capacity, high mechanical strength, and low diffusion barrier. However, borophene cannot be stable without metal substrates, impeding the industrial applications. Hence, using first-principles calculations, we proposed to form van der Waals heterostructures to improve the stability of monocomponent borophene and found graphene to be an alternative substrate for stabilizing borophene as a borophene/graphene (B/G) heterostructure. We find that B/G has a high adsorption energy of Li (−2.959 eV) and a high theoretical specific capacity (1469.35 mA h/g). Also, systematic climbing-image nudged elastic band calculations show that B/G has a low diffusion barrier (0.613 eV), and these properties change with the interlayer distance of B/G, theoretical specific capacity increasing to 1763.22 mA h/g, and diffusion barrier decreasing to 0.353 eV. Our results demonstrate that B/G is a promising anode material and that the electrochemical performance can be changed by adjusting the interlayer spacing.

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Section: Resultssupporting

confidence: 90%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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High-Performance Borophene/Graphene Heterostructure Anode of Lithium-Ion Batteries Achieved via Controlled Interlayer Spacing

Zhou

Yang

et al. 2020

ACS Appl. Energy Mater.

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“…Using ab initio methods, it is predicted that borophene in combination with various 2D semiconductor materials is a promising material for the formation of the Schottky barrier. Tunable Schottky barriers based on van der Waals heterostructures borophene/InSe [44], borophene/g-C 2 N [45], borophene/MoSe 2 , and borophene/WSe 2 [46] have already been proposed.…”

Section: Introductionmentioning

confidence: 99%

Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study

2022

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At present, the combination of 2D materials of different types of conductivity in the form of van der Waals heterostructures is an effective approach to designing electronic devices with desired characteristics. In this paper, we design novel van der Waals heterostructures by combing buckled triangular borophene (tr-B) and graphene-like gallium nitride (GaN) monolayers, and tr-B and zinc oxide (ZnO) monolayers together. Using ab initio methods, we theoretically predict the structural, electronic, and electrically conductive properties of tr-B/GaN and tr-B/ZnO van der Waals heterostructures. It is shown that the proposed atomic configurations of tr-B/GaN and tr-B/ZnO heterostructures are energetically stable and are characterized by a gapless band structure in contrast to the semiconductor character of GaN and ZnO monolayers. We find the phenomenon of charge transfer from tr-B to GaN and ZnO monolayers, which predetermines the key role of borophene in the formation of the features of the electronic structure of tr-B/GaN and tr-B/ZnO van der Waals heterostructures. The results of the calculation of the current–voltage (I–V) curves reveal that tr-B/GaN and tr-B/ZnO van der Waals heterostructures are characterized by the phenomenon of current anisotropy: the current along the zigzag edge of the ZnO/GaN monolayers is five times greater than along the armchair edge of these monolayers. Moreover, the heterostructures show good stability of current to temperature change at small voltage. These findings demonstrate that r-B/GaN and tr-B/ZnO vdW heterostructures are promising candidates for creating the element base of nanoelectronic devices, in particular, a conducting channel in field-effect transistors.

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“…Van der Waal heterostructure used first-principle calculations, noticed effective charge transport in heterostructure while applied external electric field. The consequence, of we, have an opportunity to tune carrier concentration and Schottky barrier with the help of tuning in the Van der Waal heterostructure[81]. This insight can be useful in nanophotonic and optoelectronic devices.…”

mentioning

confidence: 99%

Overview of Borophene as a Potential Candidate in 2D Materials Science for the Energy Applications

Powar

Pandav

2019

J. Chem. Rev.

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Energy problem is one of the serious concerns in modern society; therefore, we have to take hastily an effective action. Hence, researchers are looking for some attractive materials with low-cost, lightweight, and environmentally effective. Recently, 2D materials have taken notable recognition in the field of materials science for multiple energy application, because of its unique electronic and optical properties; and borophene is one of the 2D material which is commendatories than graphene. However, it has not much experimentally explored yet. This review discusses the synthesis process of borophene and discussed energy-related application such as energy storage, optoelectronic, photocatalytic activity, and hydrogen storage. Moreover, this work provides a summary of each application that could help to understand the importance of borophene materials for energy applications.

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Tunable Schottky barrier and electronic properties in borophene/g-C2N van der Waals heterostructures

Cited by 30 publications

References 33 publications

High-Performance Borophene/Graphene Heterostructure Anode of Lithium-Ion Batteries Achieved via Controlled Interlayer Spacing

High-Performance Borophene/Graphene Heterostructure Anode of Lithium-Ion Batteries Achieved via Controlled Interlayer Spacing

Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study

Overview of Borophene as a Potential Candidate in 2D Materials Science for the Energy Applications

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