19 citations · 89 across the 18 of their papers we have counts for
3 papers · 1 filter
Calculated Structural and Electronic Interactions of the nano dye molecule () with a iodide/triiodide redox shuttle
E. Shomali, I. Abdolhosseini Sarsari, S. Javad Hashemifar +1
In this paper, dye sensitized solar cell based on nano dye molecule N3 are investigated by using density functional computations. The main focus is on the N3 dye molecule and corre…
First-principles structure search for the stable isomers of stoichiometric WS2 nano-clusters
Roohollah Hafizi, S. Javad Hashemifar, Mojtaba Alaei +2
In this paper, we employ evolutionary algorithm along with the full-potential density functional theory (DFT) computations to perform a comprehensive search for the stable structur…
Ab-initio investigation of structural, electronic, and optical properties of (5,0) finite-length carbon nanotube
Mahdi Tarighi Ahmadpour, S. Javad Hashemifar, Ali Rostamnejadi
We use density functional computations to study the size effects on the structural, electronic, magnetic, and optical properties of (5,0) finite carbon nanotubes (FCNT), with lengt…