Simulation of hydrogen storage in porous carbons

Al enhances the H2storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals

(2012) J. Carrete et al.   PHYSICAL REVIEW B

Effect of microstructure on the thermal conductivity of disordered carbon

(2011) I. Suarez-Martinez et al.   APPLIED PHYSICS LETTERS

Single Pd atoms in activated carbon fibers and their contribution to hydrogen storage

(2011) Cristian I. Contescu et al.   CARBON

Structure and hydrogen adsorption properties of low density nanoporous carbons from simulations

(2011) Lu Jian Peng et al.   CARBON

Simulation of the hydrogen storage in nanoporous carbons with different pore shapes

(2011) I. Cabria et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams

(2011) A. Martínez-Mesa et al.   JOURNAL OF CHEMICAL PHYSICS

Simulated porosity and electronic structure of nanoporous carbons

(2011) María J. López et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen Confinement in Carbon Nanopores: Extreme Densification at Ambient Temperature

(2011) Nidia C. Gallego et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Is Hydrogen Storage Possible in Metal-Doped Graphite 2D Systems in Conditions Found on Earth?

(2011) A. Sigal et al.   PHYSICAL REVIEW LETTERS

Prediction of Hydrogen Adsorption Properties in Expanded Graphite Model and in Nanoporous Carbon

(2010) Lujian Peng et al.   Journal of Physical Chemistry C

Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

(2010) Hoonkyung Lee et al.   NANO LETTERS

Theoretical study of the transition from planar to three-dimensional structures of palladium clusters supported on graphene

(2010) I. Cabria et al.   PHYSICAL REVIEW B

H-Spillover through the Catalyst Saturation: An Ab Initio Thermodynamics Study

(2009) Abhishek K. Singh et al.   ACS Nano

Atypical hydrogen uptake on chemically-activated, ultramicroporous carbon

(2009) Vinay V. Bhat et al.   CARBON

A Simple Two-Dimensional NLDFT Model of Gas Adsorption in Finite Carbon Pores. Application to Pore Structure Analysis

(2009) Jacek Jagiello et al.   Journal of Physical Chemistry C

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Embedding Transition-Metal Atoms in Graphene: Structure, Bonding, and Magnetism

(2009) A. V. Krasheninnikov et al.   PHYSICAL REVIEW LETTERS

Hydrogen storage in pure and Li-doped carbon nanopores: Combined effects of concavity and doping

(2008) I. Cabria et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles study of metal adatom adsorption on graphene

(2008) Kevin T. Chan et al.   PHYSICAL REVIEW B

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

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS

Preparation of platinum-decorated porous graphite nanofibers, and their hydrogen storage behaviors

(2007) Byung-Joo Kim et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE