skip to main content

DOE PAGESDOE PAGES

Title: Prediction of a Ca(BH 4)(NH 2) quaternary hydrogen storage compound from first-principles calculations

Authors:
; ;
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review. B. Condensed Matter and Materials Physics
Additional Journal Information:
Journal Name: Physical Review. B. Condensed Matter and Materials Physics Journal Volume: 84 Journal Issue: 13; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1100958

Aidhy, Dilpuneet S., Zhang, Yongsheng, and Wolverton, C.. Prediction of a Ca(BH4)(NH2) quaternary hydrogen storage compound from first-principles calculations. United States: N. p., Web. doi:10.1103/PhysRevB.84.134103.
Aidhy, Dilpuneet S., Zhang, Yongsheng, & Wolverton, C.. Prediction of a Ca(BH4)(NH2) quaternary hydrogen storage compound from first-principles calculations. United States. doi:10.1103/PhysRevB.84.134103.
Aidhy, Dilpuneet S., Zhang, Yongsheng, and Wolverton, C.. 2011. "Prediction of a Ca(BH4)(NH2) quaternary hydrogen storage compound from first-principles calculations". United States. doi:10.1103/PhysRevB.84.134103.
@article{osti_1100958,
title = {Prediction of a Ca(BH4)(NH2) quaternary hydrogen storage compound from first-principles calculations},
author = {Aidhy, Dilpuneet S. and Zhang, Yongsheng and Wolverton, C.},
abstractNote = {},
doi = {10.1103/PhysRevB.84.134103},
journal = {Physical Review. B. Condensed Matter and Materials Physics},
number = 13,
volume = 84,
place = {United States},
year = {2011},
month = {10}
}

Works referenced in this record:

Projector augmented-wave method
journal, December 1994

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Special points for Brillouin-zone integrations
journal, June 1976
  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials
journal, May 1997

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992

Design and synthesis of an exceptionally stable and highly porous metal-organic framework
journal, November 1999
  • Li, Hailian; Eddaoudi, Mohamed; M., O'Keeffe
  • Nature, Vol. 402, Issue 6759, p. 276-279
  • DOI: 10.1038/46248