DFT Study of Ca-adsorbed MoS2 Monolayer for Hydrogen Storage Application

Archana Sharma; Anu .; Mushahid Husain; Anurag Srivastava; Mohd. Shahid Khan

Volume 3, Issue 1 , 2018, , Pages 25-30


  Surface metal adsorption on 2D structures is demonstrated to be an effective tool for improving hydrogen storage capacity. In the current work, the behavior of Ca atom adsorption on monolayer MoS2 is studied and subsequently its hydrogen storage capacity is investigated computationally using van der ...  Read More