Role of titanium in hydrogen desorption in crystalline sodium alanate
ABSTRACT: The role of Ti in improving the thermodynamics of hydrogen desorption in crystalline sodium alanate sNaAlH4d has been investigated by using the density functional theory. The total energy calculations reveal that Ti prefers to occupy the Na site over that of the Al site when the atomic ene...
- Autores:
-
Graca Araujo, Carlos Moyses
Ahuja, Rajeev
Osorio Guillén, Jorge Mario
Jena, Puru
- Tipo de recurso:
- Article of investigation
- Fecha de publicación:
- 2005
- Institución:
- Universidad de Antioquia
- Repositorio:
- Repositorio UdeA
- Idioma:
- eng
- OAI Identifier:
- oai:bibliotecadigital.udea.edu.co:10495/13304
- Acceso en línea:
- http://hdl.handle.net/10495/13304
- Palabra clave:
- Titanio
Titanium
Hidrógeno
Hydrogen
Sodio
Sodium
Alanato de sodio cristalino
http://aims.fao.org/aos/agrovoc/c_32704
http://aims.fao.org/aos/agrovoc/c_3724
http://aims.fao.org/aos/agrovoc/c_7145
- Rights
- openAccess
- License
- https://creativecommons.org/licenses/by-nc-nd/4.0/