Absorption and diffusion of beryllium in graphite, beryllium carbide formation investigated by density functional theory

Adsorption of beryllium atoms and clusters both on graphene and in a bilayer of graphite investigated by DFT

(2012) Yves Ferro et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Role of defect electronic states in the ferromagnetism in graphite

(2012) Zhoutong He et al.   PHYSICAL REVIEW B

Influence of thermal treatment on beryllium/carbon formation and fuel retention

(2011) A. Anghel et al.   JOURNAL OF NUCLEAR MATERIALS

Modelling the erosion of beryllium carbide surfaces

(2011) M. Mehine et al.   JOURNAL OF NUCLEAR MATERIALS

Stability of edge states and edge magnetism in graphene nanoribbons

(2011) Jens Kunstmann et al.   PHYSICAL REVIEW B

Beryllium chains interacting with Graphene Nanoislands: From anti-ferromagnetic to ferromagnetic ground state

(2010) Stefano Evangelisti et al.   CHEMICAL PHYSICS LETTERS

Communication: Emergence of localized magnetic moment at adsorbed beryllium dimer on graphene

(2010) Xiang He et al.   JOURNAL OF CHEMICAL PHYSICS

A theoretical study of linear beryllium chains: Full configuration interaction

(2009) Valentina Vetere et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of hydrogenation on structure and superconducting properties of CaC6

(2009) G. Srinivas et al.   JOURNAL OF MATERIALS CHEMISTRY

Investigation of chemical phase formation in the ternary system beryllium, carbon and tungsten with depth-resolved photoelectron spectroscopy

(2009) F. Kost et al.   JOURNAL OF NUCLEAR MATERIALS

Recent analysis of key plasma wall interactions issues for ITER

(2009) Joachim Roth et al.   JOURNAL OF NUCLEAR MATERIALS

Interatomic potentials for the Be–C–H system

(2009) C Björkas et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Status and physics basis of the ITER divertor

(2009) R A Pitts et al.   PHYSICA SCRIPTA

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

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

Graphene: A perfect nanoballoon

(2008) O. Leenaerts et al.   APPLIED PHYSICS LETTERS

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Theoretical investigation of hydrogen storage in metal-intercalated graphitic materials

(2008) Manuel Cobian et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Impermeable Atomic Membranes from Graphene Sheets

(2008) J. Scott Bunch et al.   NANO LETTERS

Stability and magnetism of hydrogen dimers on graphene

(2008) Yves Ferro et al.   PHYSICAL REVIEW B

Self-Assembled Metal Atom Chains on Graphene Nanoribbons

(2008) Seon-Myeong Choi et al.   PHYSICAL REVIEW LETTERS