Creat membership Creat membership
Sign in

Forgot password?

Confirm
  • Forgot password?
    Sign Up
  • Confirm
    Sign In
Creat membership Creat membership
Sign in

Forgot password?

Confirm
  • Forgot password?
    Sign Up
  • Confirm
    Sign In
Collection
For ¥0.57 per day, unlimited downloads CREATE MEMBERSHIP Download

toTop

If you have any feedback, Please follow the official account to submit feedback.

Turn on your phone and scan

home > search >

Role of alloying elements in vanadium-based binary alloy membranes for hydrogen separation

Author:
Young-Su Leea   lee0su@kist.re.kr   Chuying Ouyangb   cyouyang@jxnu.edu.cn   Jin-Yoo Suha   jinyoo@kist.re.kr   Eric Fleurya   efleury@kist.re.kr   Young Whan Choa   oze@kist.re.kr   Jae-Hyeok Shima   jhshim@kist.re.kr  


Journal:
Journal of Membrane Science


Issue Date:
2012


Abstract(summary):

We investigate the metal-hydrogen interaction in vanadium alloyed with X=Fe, Ni, Al, Ti, and Nb using first-principles calculations. The site energy of interstitial hydrogen depends on both the volume and the presence of a nearby alloying element; the two effects are analyzed separately. The effective volume of the alloying element follows the sequence Nb>Ti>Al>V>Ni>Fe, and a larger volume lowers the site energy on average. Locally, Al appears to be the strongest hydrogen repellent, and Ti exhibits the strongest affinity for hydrogen. The original tetrahedral coordination by the metal atoms is also affected and the effect is the most pronounced in Ni, where the hydrogen atom in the octahedral interstitial site is strongly stabilized. A 16-atom body centered cubic special quasi-random structure is utilized to obtain the statistical distribution of site energies in V12X4. The obtained site energies at 673 K have the following sequence: Ti


Page:
332-341


VIEW PDF

The preview is over

If you wish to continue, please create your membership or download this.

Create Membership

Similar Literature

Submit Feedback

This function is a member function, members do not limit the number of downloads