63 citations · 162 across the 5 of their papers we have counts for
4 papers
Comprehensive Study of Lithium Adsorptionand Diffusion on Janus Mo/WXY (X, Y= S,Se, Te) using First Principles and MachineLearning Approaches
Gracie Chaney, Akram Ibrahim, Fatih Ersan +2
The structural asymmetry of two-dimensional (2D) Janus transition metal dichalcogenides (TMDs) produces internal dipole moments that result in interesting electronic properties. Th…
Effects of the number of layers on the vibrational, electronic and optical properties of alpha lead oxide
Ali Bakhtatou, Fatih Ersan
We have investigated the effects of number of layers on the structural, vibrational, electronic and optical properties of -PbO using first principles calculations. Our theoretic…
Exploring the Electronic and Magnetic Properties of New Metal Halides from Bulk to Two-Dimensional Monolayer: RuX3 (X=Br, I)
F. Ersan, E. Vatansever, S. Sarikurt +6
Theoretical and experimental studies present that metal halogens in MX forms can show very interesting electronic and magnetic properties in their bulk and monolayer phases. Ma…
Interaction of Adatoms with Two-Dimensional Metal Monochalcogenides (GaS, GaSe)
H. D. Ozaydin, Y. Kadioglu, F. Ersan +2
In this paper, we report first principles calculations based on density functional theory to reveal the effects of selected adatoms (Li, Na, K, Be, Mg, Ca, B, C, N, O, Al, Si, P, G…