Jahn-Teller distortion and electronic structure of LiMn2O4
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
A family of 2D transition metal carbides and nitrides known as MXenes has received increasing attention since the discovery of Ti3C2 in 2011. To date, about 30 different MXenes with well-defined structures and properties have been synthesized, and many mor ...
Accurate models capable to predict the dynamic behavior and the State-of-Charge (SoC) of Battery Energy Storage Systems (BESSs) is a key aspect for the definition of model-based controls in electric vehicles and in power grid applications of these energy s ...
In this work, we present and apply schemes to determine from first-principles calculations the relevant effective parameters used in phase field theory simulations of battery compounds. In particular, we derive that a consistent free energy density can be ...
Lithium-ion batteries are widely implemented as energy storage devices due to their high energy density and low cost. They enabled modern portable electronics and electric ve-hicles, and are key to manage the integration of intermittent renewable electrici ...
We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in next-generation batteries. We start from similar to 140 ...
To model polaronic behavior in strongly correlated transition-metal oxideswith ab initio methods, one typically requires a level of theory beyond that of local density or general gradient density functional theory (DFT) approximations to account for the st ...
Transition-metal compounds pose serious challenges to first-principles calculations based on density functional theory (DFT), due to the inability of most approximate exchange-correlation functionals to capture the localization of valence electrons on thei ...
Establishing a link between atomistic processes and battery cell behavior is a major challenge for lithium ion batteries. Focusing on liquid electrolytes, we describe parameter-free molecular dynamics predictions of their mass and charge transport properti ...
Lithium-ion batteries provide the power for portable electronics and found many other interesting applications. It is desirable to design batteries with high energy density and long cycle life. Silicon is among the highest Li-storing anode materials in bat ...
The Li-ion batteries within the consumer electronics used in our everyday life suffer from well-known deficiencies due to the prevalent use of organic liquid electrolytes: the narrow electrochemical stability windows of the organic solvents used in these e ...
