Growth control, interface behavior, band alignment, and potential device applications of 2D lateral heterostructures

Zhao, Jijun; Cheng, Kai; Han, Ning; Zhang, Junfeng

doi:10.1002/wcms.1353

Cited by 42 publications

(34 citation statements)

References 102 publications

(224 reference statements)

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“…Theoretical calculations were conducted to probe the whole growth process of the G-h-BN heterostructures. It was previously reported that hexagonal G crystals grown on metal substrates have zigzag (ZZ) edges 18 ; since several experiments confirmed a ZZ edge at the interface of G and h-BN in-plane heterostructures 9,24 , it was assumed that in our case, the subsequent h-BN growth would be atomically grown along the ZZ edges of the G. Furthermore, it was shown that two bonded modes exist when h-BN is atomically connected with graphene, where one is a C-N bond and the other is a C-B bond 25 . In our case, the interface between the G flake and h-BN periphery was also investigated.…”

Section: S3-s5mentioning

confidence: 71%

In situ epitaxial engineering of graphene and h-BN lateral heterostructure with a tunable morphology comprising h-BN domains

et al. 2019

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Graphene and hexagonal boron nitride (h-BN), as typical two-dimensional (2D) materials, have long attracted substantial attention due to their unique properties and promise in a wide range of applications. Although they have a rather large difference in their intrinsic bandgaps, they share a very similar atomic lattice; thus, there is great potential in constructing heterostructures by lateral stitching. Herein, we present the in situ growth of graphene and h-BN lateral heterostructures with tunable morphologies that range from a regular hexagon to highly symmetrical star-like structure on the surface of liquid Cu. The chemical vapor deposition (CVD) method is used, where the growth of the h-BN is demonstrated to be highly templated by the graphene. Furthermore, large-area production of lateral G-h-BN heterostructures at the centimeter scale with uniform orientation is realized by precisely tuning the CVD conditions. We found that the growth of h-BN is determined by the initial graphene and symmetrical features are produced that demonstrate heteroepitaxy. Simulations based on the phase field and density functional theories are carried out to elucidate the growth processes of G-h-BN flakes with various morphologies, and they have a striking consistency with experimental observations. The growth of a lateral G-h-BN heterostructure and an understanding of the growth mechanism can accelerate the construction of various heterostructures based on 2D materials.

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Section: S3-s5mentioning

confidence: 71%

In situ epitaxial engineering of graphene and h-BN lateral heterostructure with a tunable morphology comprising h-BN domains

et al. 2019

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“…To the best of our knowledge, until now, such heterostructures have been obtained, on the one hand, only between graphene and h‐BN since 2012 [ 32–34 ] and with transition metal dichalcogenides since 2014, on the other hand. [ 8 ] These novel heterostructures will further boost fundamental studies, not only in electronics, but also, typically, in spintronics and optoelectronics. [ 37 ] Progress in engineering, for example, to tailor nanoribbons and lateral superlattices, and use such effects as negative differential resistance, can be anticipated.…”

Section: Resultsmentioning

confidence: 99%

“…[ 7 ] Besides lateral graphene/h‐BN heterostructures, fabrication of several in‐plane heterostructures of transition metal dichalcogenides has also been reported. [ 8 ] Very recently, vertical heterostructures have been prepared by boron intercalation underneath graphene, while, more strikingly, lateral integration of borophene with graphene has been realized. [ 9 ] At variance, there is no experimental report of the realization of such monolayer in‐plane heterostructures for the group 14 post‐graphene 2D materials, although each of them typically possesses very high hole and electron mobilities.…”

Section: Introductionmentioning

confidence: 99%

Continuous Growth of Germanene and Stanene Lateral Heterostructures

Ogikubo

Shimazu

Fujii

et al. 2020

Adv Materials Inter

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of a band gap in its electronic structure is difficult, these novel 2D materials are expected to possess sizeable band gaps, making them typically suitable for electronic applications. Furthermore, theory predicts that they are robust topological insulators, even up to about room temperature (RT) and above for germanene and stanene.In experiment, these artificial 2D materials were firstly realized in situ by molecular beam epitaxy (MBE) for silicene in 2012, [1,2] germanene in 2014, [3] stanene in 2015, [4] and finally plumbene in 2019. [5] One of the next targets is the growth of in-plane heterostructures because abrupt lateral interfaces promise controlled heterojunction functionalities. Lateral heterostructures of graphene and hexagonal boron nitride (h-BN) were grown on Cu(110) in 2014. [6] First-principles calculations on the electronic properties of graphene quantum dots embedded in monolayer h-BN sheets typically indicate that the h-BN band gap shrinks upon increasing the diameter of the graphene dots. [7] Besides lateral graphene/h-BN heterostructures, fabrication of several in-plane heterostructures of transition metal dichalcogenides has also been reported. [8] Very recently, vertical heterostructures have been prepared by boron intercalation underneath Group 14 elemental post-graphene materials receive much attention because of their outstanding properties, typically, as robust 2D topological insulators. Their heterostructures are a main target in view of disruptive applications. Here, the realization of striking in-plane lateral heterostructures between germanene and stanene are shown, which are sustainable 2D Ge-and Snbased graphene analogs, but with a strong intrinsic spin-orbit coupling. A unique combination of atomic segregation epitaxy (ASE) and molecular beam epitaxy (MBE) for the in situ continuous fabrication of nearly atomically precise lateral multijunction heterostructures, respectively, consisting of atom-thin germanene and stanene on a Ag(111) thin film is used. Scanning tunneling microscopy (STM) observations at atomic scale and low-energy electron diffraction testify that germanene and stanene sheets without intermixing are prepared simultaneously on the same terraces at wide scale: tin and germanium atoms neither exchange their sites nor adsorb on the germanene and stanene sheets. The atomic structure of the boundary between germanene and stanene is derived from STM images, while scanning tunneling spectroscopy reveals key electronic features at the heterojunction. This innovative synergetic approach of ASE and MBE growths offers great flexibility for the realization of unprecedented lateral 2D heterostructures.

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“…In 2014, in‐plane heterostructures of 2D TMDCs were first identified by the one‐step or two‐step chemical vapor deposition (CVD) method, which permits modification of the atomic composition of a single monolayer to manifest in‐plane heterostructures . In‐plane heterostructures of 2D TMDCs, such as MoS 2 /WS 2 , MoSe 2 /WSe 2 , MoS 2 /MoSe 2 as wells as MoS 2 /WSe 2 mark the ultimate thickness limit for junctions between semiconducting materials.…”

Section: Photoexcitation Dynamics Of Chargr Carriersmentioning

confidence: 99%

Photoexcited charge carrier behaviors in solar energy conversion systems from theoretical simulations

Wei

Huang

Dai

2019

WIREs Comput Mol Sci

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Solar energy bears great potential in the substitution of conventional fossil fuels to enable a sustainable world. In order to harness and use solar energy, photocatalytic and photovoltaic systems made of semiconductor materials have been developed to convert sunlight into energy (electricity) based on the photoelectrochemical effects.Photoelectric events are related with the light-energy (electricity) conversion process, including photon absorption, photoexcited charge carrier separation and recombination, charge carrier transport, and photocurrent generation, as well as electron plasmonic resonance. We focus on the recent state-of-the-art simulation methods correspondingly mimicking these photogenerated charge carrier behaviors, taking electron-phonon, electron-exciton, and exciton-exciton interactions into account. Results can be obtained from the standard density function theory (DFT) for ground-state properties, many-body perturbation theory for band gap renormalization and optical absorption, time-domain DFT in combination with nonadiabatic molecular dynamics for photoexcitation dynamics, nonequilibrium Green's function and self-consistent theory for charge carrier transport properties, and classical Maxwell's equations in discrete dipole approximation for localized surface plasmon resonance absorption and near-field enhancement. In combination of the results from these simulation methods, a complete and consistent picture describing the fundamental photoelectric process in light-energy (electricity) conversion could be obtained. Simulation results offer guidelines for experimental efforts and provide new basic insights into the underlying mechanisms and the design principles for next-generation photocatalytic and photovoltaic devices of high solar light utilization efficiency.

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Growth control, interface behavior, band alignment, and potential device applications of 2D lateral heterostructures

Cited by 42 publications

References 102 publications

In situ epitaxial engineering of graphene and h-BN lateral heterostructure with a tunable morphology comprising h-BN domains

In situ epitaxial engineering of graphene and h-BN lateral heterostructure with a tunable morphology comprising h-BN domains

Continuous Growth of Germanene and Stanene Lateral Heterostructures

Photoexcited charge carrier behaviors in solar energy conversion systems from theoretical simulations

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