期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 20, 期 32, 页码 21043-21050出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp03594f
关键词
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资金
- National Center for High Performance Computing of Turkey (UHeM) [5003622015]
- Scientific and Technological Research Council of Turkey (TUBITAK) [115F088]
- Turkish Academy of Sciences - Outstanding Young Scientists Award Program (TUBA-GEBIP)
- Ankara University thorough the AYP [17A0443001]
Following its synthesis, borophene has drawn noticeable attention due to its remarkable intrinsic properties. Understanding and modifying these properties are crucial for implementation of borophene in high-technological applications. In this study, we employed ab initio techniques to examine the variation of the optoelectronic properties of buckled borophene by strain and surface functionalization. We find that the optical response can be tuned by applying compressive/tensile strain and covering the surface with hydrogen and fluorine atoms. It is shown that the variations in optical properties can be correlated with structural deformations and modifications in the electronic band structure. Revealing the tunability of the optical response of borophene can pave the way for its potential uses in various optoelectronic devices.
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