16 citations · 22 across the 8 of their papers we have counts for
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Effects of atoms and molecules adsorption on electronic and magnetic properties of s-triazine with embedded Fe atom: DFT investigations
Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +2
We employ first-principles calculations to study the mechanical, geometrical, electronic and magnetic properties of Fe atom embedded s-triazine (@${\mathrm C_6}{\mathr…
First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom
Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +2
Density-functional theory calculations with spin-polarized generalized gradient approximation and Hubbard correction is carried out to investigate the mechanical, structural, e…
Adsorption of atoms and molecules on s-triazine sheet with embedded manganese atom: First-principles calculations
Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +3
The mechanical, structural, electronic and magnetic properties of s-triazine sheet (C6N6) with embedded Mn atom (Mn-C6N6) is investigated under the influence of external environmen…
Theoretical studies on mechanical and electronic properties of -triazine sheet
Yusuf Zuntu Abdullahi, Tiem Leong Yoon, Mohd Mahadi Halim +2
Mechanical and electronic properties of -triazine are studied using first-principles calculations based on density functional theory. The in-plane stiffness and bulk modulus for…
Molecular dynamics simulation of melting of finite and infinite size silicene
Tjun Kit Min, Tiem Leong Yoon, Thong Leng Lim
We report the melting temperature of free-standing silicene by carrying out molecular dynamics (MD) simulation experiments using optimzed Stillinger-Weber (SW) potential by Zhang {…