Journal of Physical Chemistry C
Journal of Physical Chemistry C
5 years ago

Enhanced Hydrogen Purification in Nanoporous Phosphorene Membrane with Applied Electric Field

Enhanced Hydrogen Purification in Nanoporous Phosphorene Membrane with Applied Electric Field
Xiongyi Liang, Chi-Man Lawrence Wu, Siu-Pang Ng, Ning Ding
As a feasibility study for hydrogen purification, the mechanisms of H2, CO2, N2, CO, and CH4 penetrating through self-passivated porous phosphorene membranes with different pore sizes were systematically investigated by density functional theory. The thermal stability of porous phosphorene membranes with various pore sizes was studied by ab initio molecular dynamics. By applying an external electric field perpendicular to the porous phosphorene membrane, the diffusion of CO2 and N2 through the pores was remarkably suppressed due to the polarizability of these molecules, whereas the energy barrier and permeance of H2 passing through the membrane is virtually unaffected. Thus, the application of the electric field improves the performance of hydrogen purification further. This finding opens up a new avenue to optimally tune the performance of 2D materials for gas separation by applying an external electric field.

Publisher URL: http://dx.doi.org/10.1021/acs.jpcc.7b12283

DOI: 10.1021/acs.jpcc.7b12283

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.