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- 저자 : Mohd Mahadi Halim (검색결과 2 건)
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V. Thirumal,A. Pandurangan,Mohd Mahadi Halim,S.R. Krishnamoorthi,R. Ilangovan 한국물리학회 2016 Current Applied Physics Vol.16 No.8
Recently carbon nanostructured materials are more attractive for the supercapacitor applications. Pure carbon nanotubes (CNTs) and double walled nitrogen doped carbon nanotubes (N-DWCNTs) have been synthesized for electrode material for the Supercapacitor applications. The N-DWCNTs were synthesized by Thermal Chemical Vapor Depositions (T-CVD) and they are coil shaped. The synthesized N-DWCNTs were characterized by powder X-ray diffraction (XRD) technique. The morphology of coil shaped NDWCNTs were revealed by the Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The Electrochemical performance of pure CNTs and N-DWCNTs was analyzed using Cyclic Voltammetry (CV) with 0.5 M H2SO4 electrolyte. It showed the good pseudocapacitance behavior for NDWCNTs. Electrochemical impedance spectroscopy (EIS) was measured for N-DWCNTs and showed the smaller charge transfer resistance (Rct e 7.731 U) which is much smaller than that of CNTs (23.69 U). The specific capacitance was measured for pure CNTs (23.40 F/g) and N-DWCNTs (51.29 F/g) with current density 0.125 A/g.
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Yusuf Zuntu Abdullahi,Tiem Leong Yoon,Mohd Mahadi Halim,Md. Roslan Hashim,Mohd. Zubir Mat Jafri,Lim Thong Leng 한국물리학회 2016 Current Applied Physics Vol.16 No.8
In this paper, geometric, electric and magnetic properties of graphitic heptazine with embedded Mn atom under bi-axial tensile strain are investigated using density-functional theory with the spin polarized generalized gradient approximation and Hubbard U correction. The binding energy computed for the systems are found to uniformly decrease with the increase in small bi-axial tensile strain (0e5%). The decrease of the binding energy can be related to the increase in the NeCeN bond angle within the cavity which tries to recover its sp2 hybridized bond. The projected density of states (PDOS) of strained/unstrained systems is also computed. It is found that the covalent bonding of the 6 nitrogen atoms located at the edge of the cavity and the embedded manganese atom in CN1 is mainly contributed by s, dzx and dz2 of the Mn atom, as well as the sp-like orbitals of these nitrogen atoms in the majority spin state respectively. Our calculations also predict enhanced band gap (0.67 eV at zero strain, 1.12 eV at 4% strain) induced by small amount of bi-axial tensile strain. The increase in band gap can be attributed to the structural distortions of the sheet caused by the symmetric deformations which lead to the backward shift in the s-like orbitals states of the CN1 atoms. Such properties may be desirable for diluted magnetic semiconductors, future spintronics, molecular magnet and nanoelectronics devices.
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