Theoretical investigation of edge-modified zigzag graphene nanoribbons by scandium metal with pyridine-like defects: A potential hydrogen storage material

by Mananghaya, Michael
Published 2014

Modeling of single-walled carbon nanotubes functionalized with carboxylic and amide groups towards its solubilization in water

by Mananghaya, Michael
Published 2015

Hydrogen adsorption of novel N-doped carbon nanotubes functionalized with scandium

by Mananghaya, Michael
Published 2015

Stability and electronic properties of the adsorption of molecular hydrogen on metal-containing single-walled carbon nanotubes

by Mananghaya, Michael
Published 2015

Understanding the structure and electronic properties of N-doped graphene nanoribbons upon hydrogen saturation

by Mananghaya, Michael
Published 2014

Hydrogen adsorption of nitrogen-doped carbon nanotubes functionalized with 3d-block transition metals

by Mananghaya, Michael R.
Published 2015

A Simulation of Hydrogen Adsorption/Desorption in Metal-Functionalized BN Nanotube

by Mananghaya, Michael Rivera
Published 2019

Titanium-Decorated Boron Nitride Nanotubes for Hydrogen Storage: A Multiscale Theoretical Investigation

by Mananghaya, Michael Rivera
Published 2019

Hydrogen Saturation Limit of Ti-Doped BN Nanotube With B-N Defects: An Insight From DFT Calculations

by Mananghaya, Michael Rivera
Published 2018

Adsorption of CO and Desorption of CO2 Interacting With Pt (111) Surface: A Combined Density Functional Theory and Kinetic Monte Carlo Simulation

by Mananghaya, Michael Rivera
Published 2020

Transport Properties of Ag Decorated Zigzag Graphene Nanoribbons as a Function of Temperature: A Density Functional Based Tight Binding Molecular Dynamics Study

by Mananghaya, Michael Rivera
Published 2019

Density functional theory investigation on the electronic and solubility properties of functionalized single-walled carbon nanotubes

by Mananghaya, Michael Rivera
Published 2012

Density functional theory study on the solubilization in water of functionalized single-wall carbon nanotubes

by Mananghaya, Michael R.
Published 2011

Theoretical investigation of the electronic properties of zigzag graphene nanoribbons with pyridine and porphyrin-like defects

by Mananghaya, Michael R.
Published 2013

Carbon nanotubes doped with nitrogen, pyridine-like nitrogen defects, and transition metal atoms

by Mananghaya, Michael R.
Published 2012

Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals

by Mananghaya, Michael, Yu, Dennis, Santos, Gil Nonato
Published 2016

Adsorption of hydrogen in scandium/titanium decorated nitrogen doped carbon nanotube

by Mananghaya, Michael, Belo, Lawrence Phoa, Beltran, Arnel
Published 2016

Small transition metal cluster adsorbed on graphene and graphene nanoribbons: A density functional based tight binding molecular dynamics study

by Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis
Published 2018

Hydrogen Adsorption of Ti-Decorated Boron Nitride Nanotube: A Density Functional Based Tight Binding Molecular Dynamics Study

by Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis
Published 2018

Solubility of Aminotriethylene Glycol Functionalized Single Wall Carbon Nanotubes: A Density Functional Based Tight Binding Molecular Dynamics Study

by Mananghaya, Michael Rivera, Santos, Gil N, Yu, Dennis
Published 2019