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Two dimensional (2D) van der Waals heterostructures (vdWHs) have their unique potential in facilitating the stacking of layers of different 2D materials for optoelectronic devices with superior characteristics at a reduced cost. However,…

We present a highly efficient workflow for designing semiconductor structures with specific physical properties, which can be utilized for a range of applications, including photocatalytic water splitting. Our algorithm generates candidate…

A variety of fabrication methods for van der Waals heterostructures have been demonstrated; however, their wafer-scale deposition remains a challenge. Here we report few-layer van der Waals PtS2/PtSe2 heterojunction photodiodes fabricated…

Mesoscale and Nanoscale Physics · Physics 2018-08-07 Jian Yuan , Tian sun , Zhixin Hu , Wenzhi Yu , Weiliang Ma , Kai Zhang , Qiaoliang Bao , Shu Ping Lau , Shenghuang Lin , Shaojuan Li

Unlike bilayers or a few layers thick materials, heterostructures are designer materials formed by assembling different monolayers in any desired sequence. As a result, while multilayer materials come with their intrinsic properties,…

Materials Science · Physics 2023-10-20 Achintya Priydarshi , Abhinav Arora , Yogesh Singh Chauhan , Amit Agarwal , Somnath Bhowmick

Heterostructures based on atomically thin semiconductors are considered a promising emerging technology for the realization of ultrathin and ultralight photovoltaic solar cells on flexible substrates. Much progress has been made in recent…

Transition metal dichalcogenides (TMD) monolayers, holding potential as good sunlight absorbers, are promising materials for next-generation optoelectronic devices. They may enable ultrathin photovoltaic(PV) devices thanks to their…

Materials Science · Physics 2022-11-28 C. Attaccalite , M. S. Prete , M. Palummo , O. Pulci

In this work, using a hybrid density functional theory (DFT) based calculation, we propose a new two-dimensional (2D) B-C-N material, $g-B_{3}C_{2}N_{3}$, with the promising prospect of metal-free photocatalysis. A comprehensive…

Materials Science · Physics 2022-07-14 Sreejani Karmakar , Souren Adhikary , Sudipta Dutta

van der Waals (vdW) heterojunctions formed by two-dimensional (2D) materials have attracted tremendous attention due to their excellent electrical/optical properties and device applications. However, current 2D heterojunctions are largely…

Mesoscale and Nanoscale Physics · Physics 2015-11-10 Daowei He , Yiming Pan , Haiyan Nan , Shuai Gu , Ziyi Yang , Bing Wu , Xiaoguang Luo , Bingchen Xu , Yuhan Zhang , Yun Li , Zhenhua Ni , Baigeng Wang , Jia Zhu , Yang Chai , Yi Shi , Xinran Wang

Semiconductor heterostructures are the fundamental platform for many important device applications such as lasers, light-emitting diodes, solar cells and high-electron-mobility transistors. Analogous to traditional heterostructures, layered…

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…

Group IV and V monolayers are the promising state-of-the-art 2D materials owing to their high carrier mobility, tunable bandgaps, and optical linear dichroism along with outstanding electronic and thermoelectric properties. Furthermore,…

Computational Physics · Physics 2021-07-07 X. Q. Shu , J. H. Lin , H. Zhang

Due to the energy supply pressure caused by non-renewable fuels as well as the environment-related issues, the efficient conversion of solar-chemical energy via photo-induced water splitting is one of the promising strategies to address the…

Chemical Physics · Physics 2021-03-23 Zhexu Xi

Many recent advances in our understanding of two-dimensional (2D) electron systems stem from van der Waals (vdW) heterostructures. The assembly process relies on the weak bonding across interfaces between layered vdW compounds, making it…

The realization of high-performance two-dimensional (2D) solar photovoltaic systems are both fundamentally intriguing and practically appealing to meet the fast-growing energy requirements. Since the limited application of single 2D…

Computational Physics · Physics 2023-06-29 Keying Han , Qiang Wang , Yan Liang , Defeng Guo , Bin Wang

Two-dimensional (2D) crystals have renewed opportunities in design and assembly of artificial lattices without the constraints of epitaxy. However, the lack of thickness control in exfoliated van der Waals (vdW) layers prevents realization…

Novel photoelectrocatalysts that use sunlight to power the CO$_2$ reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable photoelectrocatalysts must satisfy a stringent set of…

Two dimensional (2D) semiconducting light absorbers, have recently considered as promising components to improve the efficiency in the photocatalytic hydrogen production via water splitting. In this work, by employing density functional…

Materials Science · Physics 2021-09-07 Fazel Shojaei , Bohayra Mortazavi , Xiaoying Zhuang , Maryam Azizi

Semiconductor photocatalysis offers a sustainable route for converting solar energy into chemical energy, enabling the production of clean fuels and valuable chemical products. To this aim, we explore van der Waals heterostructures made up…

Materials Science · Physics 2025-10-13 Shivprasad S. Shastri , Antonio Cammarata , Tomas Polcar

Photocatalytic water splitting represents a very promising but at the same time very challenging contribution to a clean and renewable route to produce hydrogen fuel. Developing efficient and cost-effective photocatalysts for water…

Materials Science · Physics 2023-01-12 Manjari Jain , Deepika Gill , Sanchi Monga , Saswata Bhattacharya

Hydrogen is one of the most promising candidates for clean energy production. Photoelectrochemical devices look promising for the decomposition of the water molecule into 2H$_2$ + O$_2$. Oxynitrides, like the solid solution…

Materials Science · Physics 2024-10-07 R. C. Bastidas Briceño , V. I. Fernandez , R. E. Alonso