First-principles vdW-DF study on the enhanced hydrogen storage capacity of Pt-adsorbed graphene

First-principles study of hydrogen adsorption on titanium-decorated single-layer and bilayer graphenes

(2013) Hong-Zhe Pan et al.   Chinese Physics B

Adsorption of H2S molecules by cucurbit[7]uril: an ab initio vdW-DF study

(2013) Masoud Darvish Ganji et al.   RSC Advances

Investigation of the Mechanical Properties of Multi-Walled Carbon Nanotubes Using Density Functional Theory Calculations

(2012) M. D. Ganji et al.   Journal of Computational and Theoretical Nanoscience

Adsorption of hydrogen molecules onto Li-decorated titanium met-car cluster: A first-principles study

(2012) Masoud Darvish Ganji et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Elastic properties of SWCNTs with curved morphology: Density functional tight binding based treatment

(2012) M.D. Ganji et al.   SOLID STATE COMMUNICATIONS

Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-π interactions

(2011) Guo-Sheng Shi et al.   Chinese Physics B

Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations

(2011) Jie Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Hydrogen Interacting with Si-, S- and P-doped C60 Fullerenes and Carbon Nanotube

(2011) M. D. Ganji et al.   Journal of Computational and Theoretical Nanoscience

Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions

(2011) Martin Amft et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiostudy of3d,4d, and5dtransition metal adatoms and dimers adsorbed on hydrogen-passivated zigzag graphene nanoribbons

(2011) R. C. Longo et al.   PHYSICAL REVIEW B

Interaction between B-Doped C60Fullerene and Glycine Amino Acid from First-Principles Simulation

(2010) M. D Ganji et al.   CHINESE PHYSICS LETTERS

First Principles Simulation of Molecular Oxygen Adsorption on SiC Nanotubes

(2010) M. D Ganji et al.   COMMUNICATIONS IN THEORETICAL PHYSICS

Hydrogen storage in Al and Ti dispersed on graphene with boron substitution: First-principles calculations

(2010) Hong-Lae Park et al.   COMPUTATIONAL MATERIALS SCIENCE

DFT calculation of the electronic properties and EEL spectrum of NiSi2

(2010) Roberto Núñez-González et al.   COMPUTATIONAL MATERIALS SCIENCE

Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations

(2010) Yali Liu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

B36N36 fullerene-like nanocages: A novel material for drug delivery

(2010) M.D. Ganji et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Theoretical investigation of methane adsorption onto boron nitride and carbon nanotubes

(2010) Masoud Darvish Ganji et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

Nerve agents interacting with single wall carbon nanotubes: Density functional calculations

(2010) Masoud Darvish Ganji et al.   SOLID STATE SCIENCES

Ab initio design of Ca-decorated organic frameworks for high capacity molecular hydrogen storage with enhanced binding

(2009) Y. Y. Sun et al.   APPLIED PHYSICS LETTERS

First-principles study on the enhancement of lithium storage capacity in boron doped graphene

(2009) Xianlong Wang et al.   APPLIED PHYSICS LETTERS

MOLECULAR HYDROGEN FORMATION CATALYZED BY POLYCYCLIC AROMATIC HYDROCARBONS IN THE INTERSTELLAR MEDIUM

(2009) Valéry Le Page et al.   ASTROPHYSICAL JOURNAL

Electric field induced reversible switch in hydrogen storage based on single-layer and bilayer graphenes

(2009) W. Liu et al.   CARBON

Adenine monolayers on the Au(111) surface: Structure identification by scanning tunneling microscopy experiment and ab initio calculations

(2009) Maya Lukas et al.   JOURNAL OF CHEMICAL PHYSICS

Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials

(2009) Ming Li et al.   NANO LETTERS

Linear-scaling self-consistent implementation of the van der Waals density functional

(2009) Andris Gulans et al.   PHYSICAL REVIEW B

Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations

(2009) C. Ataca et al.   PHYSICAL REVIEW B

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

High-capacity hydrogen storage by metallized graphene

(2008) C. Ataca et al.   APPLIED PHYSICS LETTERS

A first-principles study of nitrogen- and boron-assisted platinum adsorption on carbon nanotubes

(2008) Yu-Hung Li et al.   CARBON

Density functional theory based treatment of amino acids adsorption on single-walled carbon nanotubes

(2008) M.D. Ganji   DIAMOND AND RELATED MATERIALS

Advances in the application of nanotechnology in enabling a ‘hydrogen economy’

(2008) Uttara Sahaym et al.   JOURNAL OF MATERIALS SCIENCE

Melamine Structures on the Au(111) Surface

(2008) Fabien Silly et al.   Journal of Physical Chemistry C

Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS

Theoretical study of the adsorption of CO2 on tungsten carbide nanotubes

(2008) M.D. Ganji   PHYSICS LETTERS A

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

(2008) C. Lee et al.   SCIENCE

Alkali-Metal-Induced Enhancement of Hydrogen Adsorption in C60Fullerene:  Anab InitioStudy

(2007) K. R. S. Chandrakumar et al.   NANO LETTERS