Published March 4, 2010
| Version v1
Journal article
Structural, electronic, and hydriding properties of Li2MgSi
Creators
- 1. Chemical Sciences and Materials Systems Laboratory, General Motors Research and Development Center, Mail Code 480-106-224, 30500 Mound Road, Warren, MI 48090-9055 (United States)
Description
An investigation of Li2MgSi, with particular emphasis on its potential as a hydrogen storage material, is reported. A cubic P4-bar3m crystal structure, differing from previous determinations, is established. We find that the material reversibly sorbs ∼2.8 mass% hydrogen at T ∼ 300 oC according to the reaction Li2MgSi + H2 ↔ 1/2Mg2Si + 2LiH + 1/2Si. Electronic structure calculations indicate that Li2MgSi is a semiconductor with a small, indirect gap of ∼0.2 eV.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jallcom.2009.12.032Additional details
Identifiers
- DOI
- 10.1016/j.jallcom.2009.12.032;
- PII
- S0925-8388(09)02585-7;
Publishing Information
- Journal Title
- Journal of Alloys and Compounds
- Journal Volume
- 492
- Journal Issue
- 1-2
- Journal Page Range
- p. 65-68
- ISSN
- 0925-8388
- CODEN
- JALCEU
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42028498
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; ENTHALPY; HYDRIDATION; HYDRIDES; HYDROGEN; HYDROGEN STORAGE; LITHIUM COMPOUNDS; MAGNESIUM COMPOUNDS; MILLI EV RANGE; SEMICONDUCTOR MATERIALS; SILICIDES; TEMPERATURE RANGE 0400-1000 K
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ALKALINE EARTH METAL COMPOUNDS; CHEMICAL REACTIONS; ELEMENTS; ENERGY RANGE; HYDROGEN COMPOUNDS; MATERIALS; NONMETALS; PHYSICAL PROPERTIES; SILICON COMPOUNDS; STORAGE; TEMPERATURE RANGE; THERMODYNAMIC PROPERTIES
Optional Information
- Copyright
- Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.