Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Germagraphene as promising anode material for Lithium-ion batteries
  predicted from first-principles calculations   Finding electrode materials with high capacity is a key challenge for
developing Lithium-ion batteries (LIBs). Graphene was once expected to be a
promising candidate, but it turns out to be too inert to interact with Li.
Here, by using the first-principles calculations, we predict that Germanium
doped graphene, termed as Germagraphene which has been achieved in recent
experiment, is a promising LIB anode material. We find that at the optimal Ge
concentration, which corresponds to the chemical formula C17Ge, the specific
capacity for Germagraphene can be as high as 1734 mAh/g, over four times larger
than graphite. We show that the material is conductive before and after Li
adsorption. We also investigate the diffusion process of Li on Germagraphene,
and find that the diffusion barrier is low (~0.151 eV), implying fast Li
diffusion. The calculated average intercalation potential is very low (~0.03
V), which is beneficial for increasing the working voltage for the full-cells.
In addition, during the process of Li intercalation, the lattice change for the
material is quite small (~0.48%), implying good cycle performance. These
results suggest that Germagraphene could be a promising high-capacity anode
material for LIBs.

22
The categories of this paper are: chao-dyn
30
The categories of this paper are: q-alg
17
The categories of this paper are: q-fin
37
The categories of this paper are: supr-con
20
The categories of this paper are: acc-phys
3
The categories of this paper are: physics
29
The categories of this paper are: funct-an
8
The categories of this paper are: hep-ex
11
The categories of this paper are: hep-lat
36
The categories of this paper are: cmp-lg
34
The categories of this paper are: chem-ph
24
The categories of this paper are: dg-ga
16
The categories of this paper are: stat
33
The categories of this paper are: plasm-ph
10
The categories of this paper are: q-bio
25
The categories of this paper are: patt-sol