TU Darmstadt / ULB / TUbiblio

Thermochemical stability of Li–Cu–O ternary compounds stable at room temperature analyzed by experimental and theoretical methods

Lepple, Maren and Rohrer, Jochen and Adam, Robert and Cupid, Damian M. and Rafaja, David and Albe, Karsten and Seifert, Hans J. (2017):
Thermochemical stability of Li–Cu–O ternary compounds stable at room temperature analyzed by experimental and theoretical methods.
In: International Journal of Materials Research, pp. 959-970, 108, (11), ISSN 1862-5282,
DOI: 10.3139/146.111560,
[Online-Edition: https://doi.org/10.3139/146.111560],
[Article]

Abstract

Compounds in the Li–Cu–O system are of technological interest due to their electrochemical properties which make them attractive as electrode materials, i. e., in future lithium ion batteries. In order to select promising compositions for such applications reliable thermochemical data are a prerequisite. Although various groups have investigated individual ternary phases using different experimental setups, up to now, no systematic study of all relevant phases is available in the literature. In this study, we combine drop solution calorimetry with density function theory calculations to systematically investigate the thermodynamic properties of ternary Li–Cu–O phases. In particular, we present a consistently determined set of enthalpies of formation, Gibbs energies and heat capacities for LiCuO, Li_2CuO_2 and LiCu_2O_2 and compare our results with existing literature

Item Type: Article
Erschienen: 2017
Creators: Lepple, Maren and Rohrer, Jochen and Adam, Robert and Cupid, Damian M. and Rafaja, David and Albe, Karsten and Seifert, Hans J.
Title: Thermochemical stability of Li–Cu–O ternary compounds stable at room temperature analyzed by experimental and theoretical methods
Language: English
Abstract:

Compounds in the Li–Cu–O system are of technological interest due to their electrochemical properties which make them attractive as electrode materials, i. e., in future lithium ion batteries. In order to select promising compositions for such applications reliable thermochemical data are a prerequisite. Although various groups have investigated individual ternary phases using different experimental setups, up to now, no systematic study of all relevant phases is available in the literature. In this study, we combine drop solution calorimetry with density function theory calculations to systematically investigate the thermodynamic properties of ternary Li–Cu–O phases. In particular, we present a consistently determined set of enthalpies of formation, Gibbs energies and heat capacities for LiCuO, Li_2CuO_2 and LiCu_2O_2 and compare our results with existing literature

Journal or Publication Title: International Journal of Materials Research
Volume: 108
Number: 11
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) > Hochleistungsrechner
11 Department of Materials and Earth Sciences > Material Science
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ)
11 Department of Materials and Earth Sciences
Zentrale Einrichtungen
Date Deposited: 21 Dec 2017 09:22
DOI: 10.3139/146.111560
Official URL: https://doi.org/10.3139/146.111560
Funders: Lichtenberg, SPP 1473 WeNDeLIB
Export:
Suche nach Titel in: TUfind oder in Google

Optionen (nur für Redakteure)

View Item View Item