The intercalation of alkali metals in disordered carbon anode materials is studied by a combination of first-principles and machine-learning methods.</p
A theoretical study was performed using computational chemistry to describe the intermolecular force...
Current fundamental electronic-structure theory allows for the accurate prediction and characterizat...
The idea of first-principles methods is to determine the properties of materials by solving the basi...
Structural data are given as obtained from DFT computations of metal-intercalated carbon structures,...
Graphite and non-graphitising ("hard") carbons are important anode materials for battery technologie...
First-principles calculations were done to examine the energetics of alkali metal intercalation into...
Disordered nanoporous and "hard" carbons are widely used in batteries and supercapacitors, but their...
Disordered nanoporous and "hard" carbons are widely used in batteries and supercapacitors, but their...
Funding Information: We thank Dr. M. Ghorbani-Asl for fruitful discussion. A.V.K. acknowledges the G...
-Diffusion of alkali metal cations in the first stage graphite intercalation compounds (GIC) LiC6, N...
Contrary to a wide-spread belief that alkali metal (AM) atoms intercalated into layered materials fo...
Despite the tremendous number of theoretical and experimental studies of the electronic properties o...
We report on the energetics of intercalation of lithium, sodium and potassium in graphite by density...
There are several questions and controversies regarding the Na storage mechanism in hard carbon. Thi...
Atomic-scale modeling and understanding of materials have made remarkable progress, but they are sti...
A theoretical study was performed using computational chemistry to describe the intermolecular force...
Current fundamental electronic-structure theory allows for the accurate prediction and characterizat...
The idea of first-principles methods is to determine the properties of materials by solving the basi...
Structural data are given as obtained from DFT computations of metal-intercalated carbon structures,...
Graphite and non-graphitising ("hard") carbons are important anode materials for battery technologie...
First-principles calculations were done to examine the energetics of alkali metal intercalation into...
Disordered nanoporous and "hard" carbons are widely used in batteries and supercapacitors, but their...
Disordered nanoporous and "hard" carbons are widely used in batteries and supercapacitors, but their...
Funding Information: We thank Dr. M. Ghorbani-Asl for fruitful discussion. A.V.K. acknowledges the G...
-Diffusion of alkali metal cations in the first stage graphite intercalation compounds (GIC) LiC6, N...
Contrary to a wide-spread belief that alkali metal (AM) atoms intercalated into layered materials fo...
Despite the tremendous number of theoretical and experimental studies of the electronic properties o...
We report on the energetics of intercalation of lithium, sodium and potassium in graphite by density...
There are several questions and controversies regarding the Na storage mechanism in hard carbon. Thi...
Atomic-scale modeling and understanding of materials have made remarkable progress, but they are sti...
A theoretical study was performed using computational chemistry to describe the intermolecular force...
Current fundamental electronic-structure theory allows for the accurate prediction and characterizat...
The idea of first-principles methods is to determine the properties of materials by solving the basi...
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