Graphene Two-Dimensional Heterostructure and Its Application in

High-Efficiency Optoelectronic Devices

Yunxiang Yang

1,*

and Heming Zhang

School of Materials Science and Engineering, Central South University, Changsha, 410016, China

Queen Mary University of London Engineering School, NPU, Northwestern Polytechnical University,

Xi’an, 710000, China

Keywords: Graphene, Solar Cell, Two-Dimensional Heterostructure, Optoelectronic Device.

Abstract: Graphene is a highly promising material for future optoelectronic devices due to its outstanding electronic

and optical characteristics. Its integration into advanced systems offers solutions to the stability challenges

faced by traditional solar cells. This article begins by outlining the chemical vapor deposition methods used

to synthesize high-quality graphene and discusses strategies for optimizing its interface engineering within

devices. These developments are shown to improve the separation and transport of photogenerated carriers in

two-dimensional heterostructures, thereby boosting photoelectric conversion efficiency. Moreover,

graphene’s outstanding conductivity and high optical transparency. make it ideal for applications as

transparent electrodes, carrier transport layers, and enhancements to photoactive materials. By systematically

examining these roles, the article highlights graphene’s transformative potential in optoelectronics while also

addressing the technical challenges and future application prospects. Overall, graphene has the potential to

play a central role in the evolution of optoelectronic technologies, with ongoing research paving the way for

practical and scalable implementations.

1 INTRODUCTION

As a groundbreaking two-dimensional material,

graphene has drawn considerable interest in

optoelectronics due to its remarkable electronic,

optical, and mechanical properties. Its ultra-high

carrier mobility, wide spectral absorption range,

ultra-fast light response speed, and excellent

mechanical flexibility make it a key candidate

material for new optoelectronic devices. In recent

years, the swift advancement of low-dimensional

materials science has prompted researchers to

engineer heterostructures by integrating graphene

with other two-dimensional materials, which not

only regulates the interface electronic states, but also

significantly improves the separation and

transmission efficiency of photogenerated carriers,

providing new research ideas to enable high-

performance optoelectronic device design

Within the domain of photovoltaic devices and

solar cells, the unique advantages of graphene

https://orcid.org/0009-0009-6905-2144

https://orcid.org/0009-0007-6653-1743

provide unprecedented opportunities for the

improvement of photoelectric conversion efficiency.

Its high conductivity and optical transparency make it

an ideal alternative material for transparent

electrodes, which can effectively replace the

traditional indium tin oxide (ITO). In addition, the

excellent charge transport ability of graphene helps to

reduce carrier recombination loss and improve charge

collection efficiency. More importantly, the

tunability of graphene energy band structure and its

functionalization characteristics enable it to achieve a

good match with a variety of light-absorbing

materials, to optimize the interface contact, and solve

the problem of low photoelectric conversion

efficiency of traditional materials.

Graphene and two-dimensional heterostructures

show great potential in the field of optoelectronic

devices, especially in improving response speed,

sensitivity, and stability. Despite these advances,

practical applications face significant challenges,

especially in the large-scale fabrication of high-

Yang, Y. and Zhang, H.

Graphene Two-Dimensional Heterostructure and Its Application in High-Efﬁciency Optoelectronic Devices.

DOI: 10.5220/0013828400004708

Paper published under CC license (CC BY-NC-ND 4.0)

In Proceedings of the 2nd International Conference on Innovations in Applied Mathematics, Physics, and Astronomy (IAMPA 2025), pages 503-509

ISBN: 978-989-758-774-0

503

quality interfaces, lack of graphene band gap,

difficulty in accurate control of energy band

alignment and interface charge transport, interlayer

coupling, and Mohr potential regulation. In addition,

the balance between high performance and stability,

flexibility, and integrability in device engineering is

also a technical problem. Therefore, promoting high-

quality two-dimensional material synthesis, accurate

design and regulation of heterostructures, and

development of new device structures are urgent

problems to be solved.

Herein, we offer a detailed review of the recent

research trends in graphene in new optoelectronic

devices, focusing on its application in two-

dimensional heterostructures and efficient

optoelectronic devices. By analysing the core role of

graphene and its performance in different

optoelectronic devices, this review seeks to offer

theoretical suggestions for the development of

optoelectronic technology in the future, and prospects

the future direction of graphene in the optoelectronic

field

2 PREPARATION AND

PHOTOELECTRIC

PROPERTIES OF GRAPHENE

2.1 Structure and Properties of

Graphene

Graphene is a highly conductive material that is

composed of carbon atoms arranged in a hexagonal

lattice structure. A carbon atom is composed of a

unique set of electron arrangements and is structured

within a hexagonal lattice framework. As depicted in

the provided illustration, a single molecular crystal

structure is observed (Muthuvinayagam et al., 2023).

In the 2023 study, it was determined that each carbon

atom within graphene forms sp² hybridized orbitals

(as depicted in Figure 1). The structural integrity of

the monolayer graphene is maintained by the strong

intermolecular forces known as van der Waals

interactions.

As depicted in Figure 2, the graphene structure

formed from carbon-carbon covalent bonds

demonstrates a unique lattice arrangement. In the

cell’s internal structure, the carbon atoms A and B are

positioned such that they are not aligned directly with

one another, thereby creating two separate triangular

lattice-like two-dimensional frameworks.

Figure 1: Carbon hybrid track (Original)

Figure 2: Graphene layer network (Biro, Nemes-Incze, and

Lambin, 2012)

Note: the light blue highlighted area represents the

cell, which is represented by vectors a1 and a2. It

contains two atoms from sublattice a (blue) and b

(red)

Graphene has a unique electronic structure and

electrical properties. By applying gate voltage and

other means, it is possible to induce the conductivity

of electrons or holes in graphene (where holes

represent a loss of electrons with positive charge),

which is like the conductive phenomenon in

Semiconductors (Katznelson, 2007). However, due to

its special electronic structure, unlike

semiconductors, graphene has no insulating state,

which gives it higher conductivity and makes not

sensitive to changes in the external environment.

Due to the extremely thin monolayer structure of

graphene, it is almost transparent, so it can absorb

more incident light in a wide band range (Bonaccorso

et al. 2010). Due to these inherent characteristics,

graphene has a significantly lower electronic

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transition energy threshold, which can efficiently use

incident photons and generate photocurrent, making

graphene have significant advantages in the

application of high-performance optoelectronic

devices.

2.2 Preparation of Graphene by CVD

To obtain graphene with high conductivity, chemical

vapor deposition (CVD) is a preferred method. The

principle is achieved by cracking carbon sources

(such as methane and ethylene) (Gong et al. 2021).

The growth mechanism can be divided into two types,

which depend on the solubility of the metal substrate

in carbon. When the solubility is high, the

carburization-decarburization mechanism can be

used (at high temperature, carbon atoms penetrate the

metal substrate and then diffuse to the metal surface

through rapid cooling, thus forming a graphene

layer). On the contrary, the surface growth

mechanism can be used (at high temperature, carbon

atoms are pyrolyzed from a gaseous carbon source

and adsorbed on the metal surface, and finally form a

continuous graphene film) (Losurdo et al. 2011).

2.3 Photoelectric Conversion Efficiency

of Graphene

Graphene plays an important role in batteries,

especially in energy storage, ion loading, and

transport. Graphene can not only be used as an active

material and catalyst in lithium battery slurry but also

plays an important role in organic solar cells (OSCs).

The electrodes of OSCs need to be highly

transparent and conductive. Therefore, transparent

conductive electrodes need to achieve the best

balance between transparency (T) and conductivity

(σ) (Li et al. 2008). This balance can be achieved by

the following formula:

𝑇 = (1 + [𝑀



/2𝑅𝑠][𝑋



/𝑋



])



(1)

Of which，𝑀



is free space impedance，𝑋



and

𝑋



represent optical conductivity and two-

dimensional conductivity, respectively. The

resistance Rs is proportional to the number of layers

(n), which can be figured up by the following

formula: 𝑅𝑠 = (𝑛𝑋



)



(Sun et al., 2015).

According to this formula, graphene can be

modified and doped to optimize its performance.

When the n is around 4, a better balance between

transparency and conductivity can be achieved

(Mahmoudi, Wang, and Hahn, 2018). This makes

graphene more advantageous than other materials in

the market.

3 HETEROSTRUCTURE OF

GRAPHENE AND OTHER

MATERIALS

3.1 Concept of Two-Dimensional

Structure and Two-Dimensional

Heterostructure of Graphene

3.1.1 Two-Dimensional Structure

Graphene is a type of two-dimensional layered

material (2DLMs), where each layer consists of a

two-dimensional lattice formed by covalently bonded

carbon atoms. It is worth noting that the neighbouring

layers are physically linked through relatively weak

intermolecular forces known as van der Waals

interactions, which play a critical role in determining

their structural integrity and overall behaviour (Yi et

al. 2019). These intrinsic properties form the

cornerstone upon which the surface behaviour and

heterostructure formation are built.

The charge carriers within graphene operate with

an intrinsic massless nature and exhibit extraordinary

mobility, which significantly enhances their transport

properties. Quantum Hall Effect (QHE) has recently

demonstrated remarkable potential to be observed at

temperatures that surpass conventional limits, with

recent experimental results indicating feasibility even

near room temperature.

By utilizing the framework of density functional

theory (DFT), recent research by a team of scientists

has demonstrated that when water droplets are

physically adsorbed onto the surface of graphene,

they significantly alter its electrical characteristics

(Taherian et al., 2013). The findings indicate that

graphene exhibits a notable level of hydrophobic

properties, which suggests it effectively repels water.

The hydrogen bonds within water molecules in liquid

droplets are significantly stronger than the energy

required to adsorb these molecules onto a single-layer

graphene surface. As a result, its influence on the

electrical characteristics of graphene is minimal. The

recent findings demonstrate that graphene’s unique

properties make it an exceptional candidate for

protecting different substrate surfaces while

simultaneously maintaining their inherent wettability

characteristics. The surface characteristics of these

materials play a pivotal role in the development of

graphene-based composites and optoelectronic

devices, as highlighted by the research (Dai, Wang,

and Wu, 2016).

3.1.2 Introduction of Heterostructure

In optoelectronic devices, graphene alone cannot

achieve all functions, but by forming a

Graphene Two-Dimensional Heterostructure and Its Application in High-Efﬁciency Optoelectronic Devices

505

heterostructure with other materials, it can achieve

functions that a single material cannot achieve. In

2010, Dean and other scientists proved that hexagonal

boron nitride (hBN) can be used as an ideal two-

dimensional substrate material for graphene, because

hBN has excellent electrical insulation, excellent

thermal conductivity and excellent lubrication

performance (Wang et al. 2014).

The vertical stacking of graphene and hBN can be

achieved by van der Waals forces. However, if the

transverse connection structure is to be formed, the

manufacturing process will be more complex. To

obtain shape-controllable graphene hexagonal boron

nitride (G-hBN) heterostructures, a method has been

proposed, as shown in Figure 3.

Figure 3: Shape-controlled transverse g-hBN

heterostructure fabrication: the conversion process of

spatial control (Li et al., 2009)

Graphene hBN heterostructure can be obtained by

covering the required graphene region with silica,

using boric acid as a boron source and ammonia as a

nitrogen source to convert G-hBN at high

temperature. Because graphene has high carrier

mobility, it can quickly absorb the generated

photoelectrons and control the conductive polarity of

the storage unit in the device, which makes it of great

significance in the application of photodetectors and

solar cells (Wang et al., 2014).

3.2 Graphene Heterostructure

Although the zero band gap semiconductor properties

make graphene have ideal photoelectric properties, its

optical absorption is low, only about 2.3%. To

overcome this limitation, it has become a widely used

strategy to form a heterostructure between quantum

dots (QDs), a material with excellent optical

absorption properties, and graphene (Gan et al. 2012).

As shown in Figure 4, when the quantum dot is

hybridized with neutral graphene, electrons are

transferred from the quantum dot to graphene,

thereby generating a built-in electric field at the

graphene/quantum dot interface (Song et al. 2015).

Under illumination, quantum dots absorb light and

generate electron-hole pairs, which are separated at

the graphene/quantum dot interface. The built-in

electric field transfers holes to graphene, while

retaining electrons in quantum dots.

The strong and tunable light absorption

characteristics in the quantum dot layer can

effectively generate and transfer charges to graphene.

Thanks to the high charge mobility of graphene, these

1V rw111charges can be circulated in graphene many

times, which significantly improves the photoelectric

conversion efficiency of devices (Konstantatos et al.

2012).

Figure 4: Energy level diagram of graphene/quantum dot

interface (Konstantatos et al., 2012)

As shown in Figure 4, quantum dots (QDs) can

enhance the scattering and absorption of incident

light, so they can effectively improve the response

current and responsivity of photodetectors.

Additionally, the graphene/quantum dot

heterostructure can significantly improve the

performance of the visible light detector. Graphene-

based photodetectors can be divided into three types

according to their response spectral range: ultraviolet

photodetectors, visible photodetectors, and infrared

photodetectors. Graphene/quantum dot

heterostructures have unique advantages, which can

combine the strong light absorption ability and

quantum effect of quantum dots with the high charge

mobility of graphene. This combination plays an

important role in achieving high response and

detection. The performance of photodetectors and

organic solar cells (OSC) can be further optimized by

treating the surface of quantum dots, effectively

doping quantum dots, and adjusting the size of

quantum dots.

4 APPLICATIONS OF

GRAPHENE IN THE

OPTOELECTRONIC FIELD

4.1 Graphene as a Transparent

Electrode

Indium tin oxide (ITO) remains the predominant

transparent electrode employed in photovoltaic

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devices due to its favourable photoelectric

characteristics, notwithstanding challenges such as

limited indium availability, mechanical fragility, and

chemical instability. (Lagerwall & Scalia, 2012).

Graphene has mechanical flexibility, rich resources,

and excellent photoelectric performance, which

perfectly makes up for the shortcomings of ITO,

improves the durability and stability of devices, and

reduces the cost.

In 2020, Koo et al. (2022) Introduced a novel form

of transparent electrode integrating polyimide and

CVD graphene, which has excellent conductivity and

mechanical stability, and achieved high efficiency

(15.2% PCE) close to traditional rigid devices in

flexible organic solar cells. In 2024, Bourahla et al.

Optimized graphene/ITO composite electrode by

introducing silver nanowires (Bourahla et al., 2024),

which significantly improved the charge transfer

ability, reduced the resistance, and maintained high

transmittance, showing good device adaptability.

Fang et al. Introduced silver-doped graphene

electrode structure into micro light-emitting diodes

(Fang et al., 2025), which effectively improved the

radiation efficiency and device performance. These

studies further verified the potential of graphene in a

new generation of flexible and high-performance

optoelectronic devices.

In summary, graphene has made major

advancements in transparent electrode materials in

recent years. By combining with PI, Ag NW, and

ITO, researchers have effectively overcome the

shortcomings of traditional ITO electrodes in

mechanical stability, chemical durability, and

resource sustainability. Graphene electrode shows

excellent photoelectric performance and application

potential in the fields of flexible optoelectronic

devices, heterojunction solar cells, and μ led. In the

future, further optimizing the preparation process of

graphene electrodes and improving their interface

engineering and charge transfer characteristics will

provide strong support to facilitate the fabrication of

high-performance and reliable next-generation

optoelectronic devices

4.2 Role of Graphene in Charge

Carrier Transport

Graphene plays an important role in boosting the

performance of solar cells by leveraging its ultra-high

carrier mobility, two-dimensional structure, and

excellent electrical properties. As an electrode or

transport layer, it can significantly accelerate charge

transmission, reduce resistance loss, and improve

current density. By constructing a heterojunction with

semiconductor materials, it can effectively enhance

charge separation efficiency and inhibit composite

loss. The out-of-plane π bonds establish weak yet

essential interactions between graphene layers

through the overlap of π electrons oriented

perpendicular to the graphene plane. These

interactions facilitate the delocalization of π

electrons, forming a cross-layer delocalization

network or electron array, which significantly

enhances the conductivity of electrons. The highly

delocalized π - π conjugate network in graphene not

only gives the material excellent conductivity but also

provides an ideal transmission path for charge

concentration, which further improves the charge

collection efficiency (Yi et al., 2020). Pure graphene

exhibits a zero-energy band structure. Upon doping,

its energy band will open. Graphene optimizes its

energy level matching through interface engineering

and chemical doping, to reduce the charge

transmission barrier, and reduce the composite loss

caused by temperature rise by using its excellent

thermal conductivity (Jiang et al., 2021).

Heteroatom doping has been demonstrated to be

the most effective method to control the band gap

engineering, optical phenomenon management, and

structural characteristics adjustment in graphene,

opening new possibilities for nano-optoelectronic

applications, especially in energy-related devices

(Sheng et al., 2011). These characteristics enable

graphene to show significant efficiency improvement

potential in perovskite solar cells, organic solar cells,

dye-sensitized solar cells, and other devices. By

further optimizing the interface modification, doping

process, and material composite strategy of graphene,

graphene is expected to assume a more vital role in

the development of efficient and stable next-

generation solar cells.

4.3 Improvement Strategies for

Graphene/Light-Absorbing Layer

Heterostructures

Graphene heterostructures have various types,

including van der Waals heterostructures, p-n

junctions, and hetero band docking structures,

showing high electron mobility, adjustable band gap,

and excellent thermal conductivity, which have a

wide range of applications.

Niu et al. Proposed a new type of heterostructure,

which uses the multilayer stacking mode of

BN/graphene monolayer/BN and BN/WSe ɑ/

ɑ/graphene monolayer/WSe ɑ/bn. Among them,

WSE ɑ, as a typical transition metal disulfide, has

excellent electrical and optical properties, and can

Graphene Two-Dimensional Heterostructure and Its Application in High-Efﬁciency Optoelectronic Devices

507

effectively shield the superlattice effect, which is

often affected by periodic potential disturbance

caused by lattice mismatch or interlayer torsion angle.

Through the encapsulation of WSE ɑ, the interaction

between electrons in graphene is significantly

enhanced, thus stimulating a stronger electron

correlation effect. The study further reveals that the

non-centrosymmetric stacking of boron nitride (BN)

layers leads to sliding ferroelectricity in the

heterostructure. This is a spontaneous polarization

behaviour caused by the relative slip between atomic

layers, which is reversible and directionally

controllable. In single-layer graphene devices, this

sliding ferroelectricity makes the charge polarization

switching more robust, and also provides greater

flexibility for the selection of material systems,

offering a novel design approach for the construction

of stable and efficient graphene optoelectronic

devices.

Naderi and Ahmad (2023) significantly improved

the thermal stability and photoelectric performance of

the device by introducing a graphene oxide (RGO)

layer into ZnO-based solar cells. As a graphene-

derived material with good conductivity and high

chemical stability, RGO plays an effective protective

role in the device structure. Electrophoretic

deposition technology is used in this study, which is

a process of uniformly depositing charged particles

on the substrate surface by applying an external

electric field. RGO layer is introduced upon the

surface of ZnO nanorods, which improves the

adaptability of the device to high high-temperature

environment. Experiments show that RGO can fill the

oxygen vacancy defects commonly existing in ZnO,

which usually reduce the optical stability of the

material. After the introduction of RGO, the device

showed a slower decline in efficiency at high

temperatures, which further verified the unique

advantages of graphene materials in improving the

durability of optoelectronic devices.

In general, graphene/light absorbing layer

heterostructure shows great potential in improving

the optical absorption, carrier transport, and stability

of optoelectronic devices. Researchers have

significantly improved the efficiency of solar cells,

photocatalytic systems, and photodetectors

incorporating graphene through innovative design of

heterostructures, interface engineering optimization,

and material doping. In the future, further exploring

the synergy mechanism of graphene in

multifunctional heterojunction structures and

optimizing its integration strategy with other 2D

materials will provide a broader research space for the

construction of efficient and stable optoelectronic

devices.

5 CONCLUSION

This paper reviews the research progress of two-

dimensional heterogeneous optoelectronic devices

based on graphene. Graphene synthesis methods,

preparation costs, and large-scale manufacturing

challenges are the research focus. CVD is suitable for

industrialization, but the process is complex, and the

cost is high. The redox process has a low cost and

high yield, but RGO has defects. High-quality

graphene can be prepared by the epitaxial growth

method, but the cost is high and depends on the SiC

substrate. The performance optimization and stability

of graphene in optoelectronic devices are key.

Although graphene is conductive, transparent, and

flexible, its stability is affected by the environment.

The optimization strategy includes surface

functionalization, doping technology, and packaging

process. These improvements contribute to the

application of graphene in photovoltaic cells,

photodetectors, LEDs, etc.

The research directions of graphene

optoelectronic devices include using artificial

intelligence to accelerate material screening and

performance prediction, developing ultra-fast

optoelectronic devices based on graphene, and

improving optoelectronic performance through three-

dimensional structure design. To promote the

industrialization of graphene materials, it is necessary

to develop low-cost, high-efficiency, and

environment-friendly synthesis processes, and

optimize the uniformity, stability, and controllability

of materials. Combined with multidisciplinary

means, the application of graphene in intelligent

optoelectronic systems, flexible wearable devices,

and ultrafast optoelectronic devices will bring new

breakthroughs in optoelectronic technology.

AUTHORS CONTRIBUTION

All the authors contributed equally and their

names were listed in alphabetical order.

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