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Title: Two-dimensional van der Waals heterojunctions for functional materials and devices

Abstract

Two-dimensional (2D) materials, such as graphene, phosphorene, graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and transition metal dichalcogenides (TMDs, e.g., MoS2), have already attracted extensive attention due to their outstanding properties and wide range of applications in electronic and optoelectronic devices. In particular, 2D van der Waals heterojunctions combining the electronic structures of such 2D materials have also been predicted theoretically and synthesized experimentally to expect more new properties (e.g., bandgap opening in graphene, semiconductor band alignment, charge transfer and new optical absorption) and potential applications (e.g., solar cells, field-effect transistors (FFTs), PN junctions, PN diodes and photodetectors) far beyond corresponding 2D materials. This review focuses on recent theoretical works about 2D van der Waals heterojunctions especially for functional materials and devices such as photovoltaic solar cells (phosphorene/MoS2 and edge-modified phosphorene nanoflake based heterojunctions), Schottky and Ohmic contacts (graphene/MoS2 based heterojunctions), PN junctions (graphene/g-ZnO based heterojunctions) and supercapacitors (graphene/h-BN based heterojunctions). These theoretical simulations and designs of 2D van der Waals heterojunctions provide a promising direction for high-performance electronic and optoelectronic devices in experiments.

Authors:
ORCiD logo [1]; ORCiD logo [2]
  1. Univ. of Science and Technology, Hefei (China). Hefei National Laboratory for Physical Sciences at Microscale, Department of Chemical Physics, and Synergetic Innovation Center of Quantum Information and Quantum Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Div.
  2. Univ. of Science and Technology, Hefei (China). Hefei National Laboratory for Physical Sciences at Microscale, Department of Chemical Physics, and Synergetic Innovation Center of Quantum Information and Quantum Physics
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1493909
Resource Type:
Journal Article
Journal Name:
Journal of Materials Chemistry C
Additional Journal Information:
Journal Volume: 5; Journal Issue: 47; Journal ID: ISSN 2050-7526
Country of Publication:
United States
Language:
English

Citation Formats

Hu, Wei, and Yang, Jinlong. Two-dimensional van der Waals heterojunctions for functional materials and devices. United States: N. p., 2017. Web. doi:10.1039/c7tc04697a.
Hu, Wei, & Yang, Jinlong. Two-dimensional van der Waals heterojunctions for functional materials and devices. United States. doi:10.1039/c7tc04697a.
Hu, Wei, and Yang, Jinlong. Sun . "Two-dimensional van der Waals heterojunctions for functional materials and devices". United States. doi:10.1039/c7tc04697a.
@article{osti_1493909,
title = {Two-dimensional van der Waals heterojunctions for functional materials and devices},
author = {Hu, Wei and Yang, Jinlong},
abstractNote = {Two-dimensional (2D) materials, such as graphene, phosphorene, graphitic carbon nitride (g-C3N4), graphitic zinc oxide (g-ZnO) and transition metal dichalcogenides (TMDs, e.g., MoS2), have already attracted extensive attention due to their outstanding properties and wide range of applications in electronic and optoelectronic devices. In particular, 2D van der Waals heterojunctions combining the electronic structures of such 2D materials have also been predicted theoretically and synthesized experimentally to expect more new properties (e.g., bandgap opening in graphene, semiconductor band alignment, charge transfer and new optical absorption) and potential applications (e.g., solar cells, field-effect transistors (FFTs), PN junctions, PN diodes and photodetectors) far beyond corresponding 2D materials. This review focuses on recent theoretical works about 2D van der Waals heterojunctions especially for functional materials and devices such as photovoltaic solar cells (phosphorene/MoS2 and edge-modified phosphorene nanoflake based heterojunctions), Schottky and Ohmic contacts (graphene/MoS2 based heterojunctions), PN junctions (graphene/g-ZnO based heterojunctions) and supercapacitors (graphene/h-BN based heterojunctions). These theoretical simulations and designs of 2D van der Waals heterojunctions provide a promising direction for high-performance electronic and optoelectronic devices in experiments.},
doi = {10.1039/c7tc04697a},
journal = {Journal of Materials Chemistry C},
issn = {2050-7526},
number = 47,
volume = 5,
place = {United States},
year = {2017},
month = {1}
}