Hydrogen storage in magnesium decorated boron clusters (Mg2Bn, n= 4–14): a density functional theory study
The capacity of hydrogen adsorption of magnesium (Mg) decorated small boron (B) clusters
(Mg 2 B n; n= 4–14) was studied using density functional theory (DFT). The calculated …
(Mg 2 B n; n= 4–14) was studied using density functional theory (DFT). The calculated …
Light and stable LinB14 (n= 1–5) clusters for high capacity hydrogen storage at room temperature: A DFT study
In this article, we have explored the hydrogen (H 2) storage capacity of the Li doped B
clusters Li n B 14 (n= 1–5) using density functional theory (DFT). The geometrical and …
clusters Li n B 14 (n= 1–5) using density functional theory (DFT). The geometrical and …
Hydrogen storage in scandium doped small boron clusters (BnSc2, n= 3–10): A density functional study
In this work, we present the hydrogen adsorption capacity of Sc doped small boron clusters
(B n Sc 2, n= 3–10) using density functional theory. Almost no structural change was …
(B n Sc 2, n= 3–10) using density functional theory. Almost no structural change was …
Modeling C540-C20 Fullerene Collisions
LK Rysaeva, IP Lobzenko, JA Baimova… - Reviews on Advanced …, 2018 - degruyter.com
Collisions of C20 and C540 fullerenes are studied in a wide range of velocities by means of
classical molecular dynamics. The simulations show that the collision scenario strongly …
classical molecular dynamics. The simulations show that the collision scenario strongly …