The electrochemical stability of lithium metal oxides against metalreduction

Ceder, Gerbrand
Aydınol, Mehmet Kadri
The possibility of metal reduction during the charging of secondary lithium batteries with LixMO2 cathodes is investigated. Loss of active material due to metal reduction can be one of the causes of capacity decay in these batteries after repeated charging. First principles methods are used to calculate the metal reduction potentials in layered LixMO2 compounds where M = Ti, V, Mn, Fe, Co or Ni. It is found that, for several of these compositions, the metal ions may preferably reduce before the lithium ion during charging. (C) 1998 Elsevier Science B.V. All rights reserved.
Solid State Ionics


Application of first principles calculations to the design ofrechargeable Li batteries
Ceder, Gerbrand; Aydınol, Mehmet Kadri; Kohan, Adrian (1997-05-01)
Rechargeable Li batteries consist of an anode, electrolyte, and cathode. The cathode is typically an oxide that intercalates Li al very low chemical potential ensuring a large open-cell voltage for the battery. We show how first-principles pseudopotential calculations can be used to predict the intercalation voltage for these materials. By means of a series of computational experiments on virtual structures, we identify the parameters that are important in determining the intercalation voltage of a compound...
Separation of lithium from brines
Erdoğan, Barış; Özbelge, H. Önder; Uludağ, Yusuf; Department of Chemical Engineering (2015)
Lithium is one of the valuable and promising metals having extensive potential use in long lasting rechargeable batteries in automotive and electronics industry. Regarding scarcity of world lithium reserves, the most efficient method must be utilized in lithium separation and purification process. The scope of this study is to increase the efficiency of lithium separation by liquid-liquid extraction and adsorption methods with various materials synthesized throughout the study. In liquid-liquid extraction m...
Development of cathode materials for li-ion batteries by sputter deposition
Erdoğan, Erdem Erkin; Aydınol, Mehmet Kadri; Department of Metallurgical and Materials Engineering (2022-2-10)
The electrochemical performance of Li-ion batteries depends mostly on the cathode material. Cobalt has a huge impact on electrochemical properties and is widely used in cathode materials, but due to its toxicity and cost, recent research is focused on reducing the amount of cobalt in cathode materials. In this study, cathode active materials are produced by magnetron sputtering to obtain the optimum amount of cobalt while optimizing the electrochemical properties. Pechini sol-gel method is used to produce p...
Ab initio calculation of the intercalation voltage of lithium transitionmetal oxide electrodes for rechargeable batteries
Aydınol, Mehmet Kadri; Ceder, Gerbrand (1997-10-01)
A first-principle's method to predict the intercalation voltage for lithium in metal oxides is presented. Although the intercalation voltage for lithium is often related to aspects of the electronic structure, this voltage can only be accurately calculated from the lithium chemical potential in the anode and cathode. Using the pseudopotential technique the average intercalation voltage of LiMO2 cathodes is computed for M = Ti, V, Co, Ni and Cu. Although no experimental data are used as input, agreement with...
Development and characterization of tin based anode materials for Li-Ion batteries
Yılmaz, Emre; Aydınol, Mehmet Kadri; Department of Metallurgical and Materials Engineering (2018)
Li-ion batteries are the most popular type of portable secondary batteries. They generate electrons at anode electrode during discharging process by releasing $Li^+$ ions from anode, in which graphite is used as Li reservoir. Recently, $SiO_2$ and Tin (IV) Oxide materials are investigated as anode materials by researchers, due to their very high theoretical capacity. There are two problems, however, limiting their use which are pulverization and irreversible reaction problems. These problems are, also, the ...
Citation Formats
G. Ceder and M. K. Aydınol, “The electrochemical stability of lithium metal oxides against metalreduction,” Solid State Ionics, pp. 151–157, 1998, Accessed: 00, 2020. [Online]. Available: