01621nas a2200265 4500000000100000008004100001653001400042653001500056653001900071653002600090653001600116100001500132700001300147700001500160700001400175700001900189700001200208700001300220245015700233856007200390300001200462490000800474520085900482022001401341 2016 d10aAmorphous10aNano-glass10aAtomic density10aLithium intercalation10aCyclability1 aA. Bhowmik1 aR. Malik1 aS. Prakash1 aT. Sarkar1 aM.D. Bharadwaj1 aS. Aich1 aS. Ghosh00aClassical molecular dynamics and quantum ab-initio studies on lithium-intercalation in interconnected hollow spherical nano-spheres of amorphous silicon uhttps://www.sciencedirect.com/science/article/pii/S0925838815315309 a165-1720 v6653 aA high concentration of lithium, corresponding to charge capacity of ∼4200 mAh/g, can be intercalated in silicon. Unfortunately, due to high intercalation strain leading to fracture and consequent poor cyclability, silicon cannot be used as anode in lithium ion batteries. But recently interconnected hollow nano-spheres of amorphous silicon have been found to exhibit high cyclability. The absence of fracture upon lithiation and the high cyclability has been attributed to reduction in intercalation stress due to hollow spherical geometry of the silicon nano-particles. The present work argues that the hollow spherical geometry alone cannot ensure the absence of fracture. Using classical molecular dynamics and density functional theory based simulations; satisfactory explanation to the absence of fracture has been explored at the atomic scale. a0925-8388