3 years ago

Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties.

Mostafa Raeisi, Timon Rabczuk, Chandra Veer Singh, Masoud Shahrokhi, Luiz Felipe C Pereira, Meysam Makaremi, Bohayra Mortazavi

Two-dimensional (2D) structures of boron atoms so called borophene, have recently attracted remarkable attention. In a latest exciting experimental study, a hydrogenated borophene structure was realized. Motivated by this success, we conducted extensive first-principles calculations to explore the mechanical, thermal conduction, electronic and optical responses of borophene hydride. The mechanical response of borophene hydride was found to be anisotropic in which it can yield an elastic modulus of 131 N/m and a high tensile strength of 19.9 N/m along the armchair direction. Notably, it was shown that by applying mechanical loading the metallic electronic character of borophene hydride can be altered to direct band-gap semiconducting, very appealing for the application in nanoelectronics. The absorption edge of the imaginary part of the dielectric function was found to occur in the visible range of light for parallel polarization. Finally, it was estimated that this novel 2D structure at the room temperature can exhibit high thermal conductivities of 335 W/mK and 293 W/mK along zigzag and armchair directions, respectively. Our study confirms that borophene hydride benefits an outstanding combination of interesting mechanical, electronic, optical and thermal conduction properties, promising for the design of novel nanodevices.

Publisher URL: http://arxiv.org/abs/1801.05616

DOI: arXiv:1801.05616v1

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.