Insights into the composition exploration of novel hydrogen storage alloys: evaluation of the Mg–Ni–Nd–H phase diagram

2017 ◽  
Vol 5 (8) ◽  
pp. 3848-3864 ◽  
Author(s):  
Qian Li ◽  
Qun Luo ◽  
Qin-Fen Gu
Keyword(s):  
Phase Diagram ◽  
Hydrogen Storage ◽  
First Principles ◽  
Quaternary System ◽  
Alloy Composition ◽  
Experimental Measurements ◽  
Processing Conditions ◽  
First Principles Calculations ◽  
Hydrogen Storage Alloys ◽  
Efficient Tool

In order to provide an efficient tool to explore alloy composition and processing conditions for Mg-based alloys with good hydriding/dehydriding (H/D) properties, investigation of the Mg–Ni–Nd–H quaternary system was carried out by experimental measurements and CALPHAD thermodynamic analysis combined with first-principles calculations.

OXIDATION PHASE DIAGRAM OF SMALL ALUMINUM CLUSTERS BASED ON FIRST-PRINCIPLES CALCULATIONS

2009 ◽  
Author(s):  
Ligen Wang ◽  
Maija M. Kuklja ◽  
Mark Elert ◽  
Michael D. Furnish ◽  
William W. Anderson ◽  
...  
Keyword(s):  
Phase Diagram ◽  
First Principles ◽  
First Principles Calculations ◽  
Aluminum Clusters

Effect of alloy composition on electrochemical properties of the Zr-based Laves-phase hydrogen storage alloys

1996 ◽  
Vol 41 (17) ◽  
pp. 2691-2694 ◽  
Author(s):  
Chiaki Iwakura ◽  
Hideo Kasuga ◽  
Ingon Kim ◽  
Hiroshi Inoue ◽  
Masao Matsuoka
Keyword(s):  
Hydrogen Storage ◽  
Electrochemical Properties ◽  
Alloy Composition ◽  
Laves Phase ◽  
Hydrogen Storage Alloys

Solid-state reactions and hydrogen storage in magnesium mixed with various elements by high-pressure torsion: experiments and first-principles calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (14) ◽  
pp. 11665-11674 ◽  
Author(s):  
Hoda Emami ◽  
Kaveh Edalati ◽  
Aleksandar Staykov ◽  
Toshifumi Hongo ◽  
Hideaki Iwaoka ◽  
...  
Keyword(s):  
High Pressure ◽  
Solid State ◽  
Hydrogen Storage ◽  
First Principles ◽  
High Pressure Torsion ◽  
Solid State Reactions ◽  
First Principles Calculations ◽  
Hydrogen Storage Materials ◽  
Storage Materials

The HPT technique is effective in synthesizing Mg-based hydrogen storage materials and improving the air resistivity and hydrogenation properties.

First principles calculations of hydrogen storage on Cu and Pd-decorated graphene

2016 ◽  
Vol 41 (39) ◽  
pp. 17652-17656 ◽  
Author(s):  
Aditya Choudhary ◽  
Linu Malakkal ◽  
Ravi Kiran Siripurapu ◽  
Barbara Szpunar ◽  
Jerzy Szpunar
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
First Principles Calculations

Hydrogen storage of Mg 1− x M x H 2 ( M = Ti, V, Fe) studied using first-principles calculations

2012 ◽  
Vol 21 (9) ◽  
pp. 097501 ◽  
Author(s):  
M. Bhihi ◽  
M. Lakhal ◽  
H. Labrim ◽  
A. Benyoussef ◽  
A. El Kenz ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
First Principles ◽  
First Principles Calculations
Sign in / Sign up

Export Citation Format

Share Document