AB-Initio Investigation Of Structural, Electronic, And Adsorption Properties Of Graphitic Carbon Nitride Sheet With Embedded Transition Metal Mn And Fe Atoms
At present, research interest in magnetic nanostructures are directed towards the search for suitable substrates for transition metal (TM) atoms embedment. The appropriate substrate is expected to preserve its intrinsic properties and that of bound TM atoms. Graphene and related surfaces with unifor...
| Main Author: | Abdullahi, Yusuf Zuntu |
|---|---|
| Format: | Thesis |
| Language: | English |
| Published: |
2018
|
| Subjects: | |
| Online Access: | http://eprints.usm.my/44350/ http://eprints.usm.my/44350/1/YUSUF%20ZUNTU%20ABDULLAHI.pdf |
Similar Items
Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons
by: Abdullahi, Yusuf Zuntu, et al.
Published: (2014)
by: Abdullahi, Yusuf Zuntu, et al.
Published: (2014)
Quantum confinement effects in Gallium Nitride nanostructures: Ab initio investigations
by: Carter, Damien, et al.
Published: (2009)
by: Carter, Damien, et al.
Published: (2009)
An ab initio study of C60 adsorption on the Si(001) surface
by: Gale, Julian, et al.
Published: (2005)
by: Gale, Julian, et al.
Published: (2005)
Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2
by: Cheng, Z., et al.
Published: (2013)
by: Cheng, Z., et al.
Published: (2013)
Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom
by: Zhao, H., et al.
Published: (2010)
by: Zhao, H., et al.
Published: (2010)
Ab-initio simulations of magnetic iron sulphides
by: Wright, Kathleen, et al.
Published: (2005)
by: Wright, Kathleen, et al.
Published: (2005)
Approximate ab initio calculations and the method of molecular fragments
by: Brailsford, David F.
Published: (1975)
by: Brailsford, David F.
Published: (1975)
Vibrational Spectroscopy of Minerals through Ab Initio Methods
by: de la Pierre, Marco, et al.
Published: (2016)
by: de la Pierre, Marco, et al.
Published: (2016)
Ab Initio Modelling of the Structure and Properties of Crystalline Calcium Carbonate
by: Demichelis, Raffaella, et al.
Published: (2016)
by: Demichelis, Raffaella, et al.
Published: (2016)
Ab initio NMR studies of chemical constituents of piper sarmentosum
by: Ibrahim Ali , Noorbatcha
Published: (2002)
by: Ibrahim Ali , Noorbatcha
Published: (2002)
Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)
by: Carter, Damien, et al.
Published: (2006)
by: Carter, Damien, et al.
Published: (2006)
Ab initio investigation of lithium on the diamond C(100) surface
by: O’Donnell, Kane, et al.
Published: (2010)
by: O’Donnell, Kane, et al.
Published: (2010)
The SIESTA method for ab initio order-N materials simulation
by: Gale, Julian, et al.
Published: (2002)
by: Gale, Julian, et al.
Published: (2002)
Quantum-mechanical ab initio simulation of the Raman and IR spectra of Mn3Al2Si3O12 spessartine
by: Valenzano, L., et al.
Published: (2009)
by: Valenzano, L., et al.
Published: (2009)
Preparation and photocatalysis of graphite carbon nitride based photocatalysts
by: He, Jijiang
Published: (2015)
by: He, Jijiang
Published: (2015)
Adsorption-Photocatalytic Degradation Of Chicken Processing Wastewater Using Powdered Activated Carbon-Supported Graphitic Carbon Nitride
by: Leong, Ken Lap
Published: (2020)
by: Leong, Ken Lap
Published: (2020)
CRYSTAL14: A program for the ab initio investigation of crystalline solids
by: Dovesi, R., et al.
Published: (2014)
by: Dovesi, R., et al.
Published: (2014)
Ab Initio Molecular Dynamics Simulations of (101) Surfaces of Potassium Dihydrogenphosphate
by: Carter, Damien, et al.
Published: (2011)
by: Carter, Damien, et al.
Published: (2011)
Superionic Conduction in Substoichiometric LiAl Alloy: An Ab Initio Study
by: Cucinotta, C., et al.
Published: (2009)
by: Cucinotta, C., et al.
Published: (2009)
Ab initio calculation of vibrational frequencies in a glassy state of selenium
by: Ahmad Nazrul Rosli,, et al.
Published: (2010)
by: Ahmad Nazrul Rosli,, et al.
Published: (2010)
Harmony search algorithms for ab initio protein tertiary structure prediction.
by: Rub, Mohammed Said Saleh Abual
Published: (2011)
by: Rub, Mohammed Said Saleh Abual
Published: (2011)
Integrated adsorption-photocatalytic degradation of chicken processing wastewater using powdered activated carbon-supported graphitic carbon nitride
by: Sim, Lan Ching, et al.
Published: (2024)
by: Sim, Lan Ching, et al.
Published: (2024)
Oxygen functional groups in graphitic carbon nitride for enhanced photocatalysis
by: Liu, S., et al.
Published: (2016)
by: Liu, S., et al.
Published: (2016)
Silver vanadate and graphitic carbon nitride composite for the removal of oxytetracycline
by: Lim, Kwee Chein
Published: (2023)
by: Lim, Kwee Chein
Published: (2023)
On the 2D-transition, hysteresis and thermodynamic equilibrium of Kr adsorption on a graphite surface
by: Diao, R., et al.
Published: (2015)
by: Diao, R., et al.
Published: (2015)
Ab initio periodic modelling of the vibrational spectra of molecular crystals: the case of uracil
by: De La Pierre, Marco, et al.
Published: (2018)
by: De La Pierre, Marco, et al.
Published: (2018)
On the Use of Symmetry in the Ab Initio Quantum Mechanical Simulation of Nanotubes and Related Materials
by: Noel, Y., et al.
Published: (2010)
by: Noel, Y., et al.
Published: (2010)
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulation
by: D’Arco, P., et al.
Published: (2009)
by: D’Arco, P., et al.
Published: (2009)
Ab initio investigation of majorite and pyrope garnets: Lattice dynamics and vibrational spectra
by: De La Pierre, Marco, et al.
Published: (2016)
by: De La Pierre, Marco, et al.
Published: (2016)
Triazine-based graphitic carbon nitride: a two-dimensional semiconductor
by: Siller-Algara, Gerardo, et al.
Published: (2014)
by: Siller-Algara, Gerardo, et al.
Published: (2014)
Graphitic carbon nitride "reloaded": Emerging applications beyond (photo)catalysis
by: Liu, Jian, et al.
Published: (2016)
by: Liu, Jian, et al.
Published: (2016)
Development of graphitic carbon nitride based assemblies for sunlight driven photocatalysis
by: Hak, Chen Hong
Published: (2018)
by: Hak, Chen Hong
Published: (2018)
Ab-initio calculations of the structural, electronic and optical properties of (CdSe)2 clusters
by: Alselawe, A.I.A., et al.
Published: (2020)
by: Alselawe, A.I.A., et al.
Published: (2020)
The vibrational spectrum of [alpha]-AlOOH diaspore: An ab initio study with the CRYSTAL code
by: Demichelis, Raffaella, et al.
Published: (2007)
by: Demichelis, Raffaella, et al.
Published: (2007)
Finite temperature, magnetic,and many-body effects in Ab initio simulations of alloy thermodynamics
by: Abrikosov, I., et al.
Published: (2013)
by: Abrikosov, I., et al.
Published: (2013)
On the full exploitation of symmetry in periodic (as well as molecular) self-consistentfield ab initio calculations
by: Orlando, R., et al.
Published: (2014)
by: Orlando, R., et al.
Published: (2014)
Ab Initio investigation of the interaction of H2 with lithium exchanged low-silica chabazites
by: Civalleri, B., et al.
Published: (2008)
by: Civalleri, B., et al.
Published: (2008)
The (100), (111) and (110) surfaces of diamond: an ab initio B3LYP study
by: De La Pierre, Marco, et al.
Published: (2014)
by: De La Pierre, Marco, et al.
Published: (2014)
Ab Initio Periodic Simulation of the Spectroscopic and Optical Properties of Novel Porous Graphene Phases
by: De La Pierre, Marco, et al.
Published: (2013)
by: De La Pierre, Marco, et al.
Published: (2013)
Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface
by: Chen, J., et al.
Published: (2014)
by: Chen, J., et al.
Published: (2014)
Similar Items
-
Density functional study of manganese atom adsorption on hydrogen-terminated armchair boron nitride nanoribbons
by: Abdullahi, Yusuf Zuntu, et al.
Published: (2014) -
Quantum confinement effects in Gallium Nitride nanostructures: Ab initio investigations
by: Carter, Damien, et al.
Published: (2009) -
An ab initio study of C60 adsorption on the Si(001) surface
by: Gale, Julian, et al.
Published: (2005) -
Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2
by: Cheng, Z., et al.
Published: (2013) -
Ab initio study of electronic structures of BaMoO4 crystals containing an interstitial oxygen atom
by: Zhao, H., et al.
Published: (2010)