Journal
ACS OMEGA
Volume 3, Issue 8, Pages 8514-8520Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsomega.8b01192
Keywords
-
Categories
Funding
- National Science and Technology Major Project of the Ministry of Science and Technology of China [2016ZX04004008]
- Scientific Research Foundation of Graduate School of Southeast University [YBPY1602]
- Science and Engineering Research Council [152-70-00017]
- Agency for Science, Technology and Research (A*STAR), Singapore
Ask authors/readers for more resources
Using density functional theory calculations, we demonstrate that the electronic and optical properties of a buckled arsenene monolayer can be tuned by molecular doping. Effective p-type doping of arsenene can be realized by adsorption of tetracyanoethylene and tetracyanoquinodimethane (TCNQ) molecules, while n-doped arsenene can be obtained by adsorption of tetrathiafulvalene molecules. Moreover, owing to the charge redistribution, a dipole moment is formed between each organic molecule and arsenene, and this dipole moment can significantly tune the work function of arsenene to values within a wide range of 3.99-5.57 eV. Adsorption of TCNQ molecules on pristine arsenene can significantly improve the latter's optical absorption in a broad (visible to near-infrared) spectral range. According to the AM 1.5 solar spectrum, two-fold enhancement is attained in the efficiency of solar-energy utilization, which can lead to great opportunities for the use of TCNQ-arsenene in renewable energy. Our work clearly demonstrates the key role of molecular doping in the application of arsenene in electronic and optoelectronic components, renewable energy, and laser protection.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available