Concepedia

First-principles study of H2 adsorption on the pristine and oxidized (8,0) carbon nanotube

Zahra Karami Horastani, S. Javad Hashemifar, Sayed Masoud Sayedi, Mohammad Hossein Sheikhi

International Journal of Hydrogen Energy · 2013 · 28 citations · 21 references

DOI

Concepts

References

21

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

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28.8K citations · Full text

, , +17

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

Handbook of chemistry and physics

Journal of the Franklin Institute · 1930 · 11.7K citations

, , +8

Generalized gradient approximation for the exchange-correlation hole of a many-electron system

John P. Perdew, Kieron Burke, Yue Wang · Physical review. B, Condensed matter · 1996 · 6.8K citations

, , +10

Nanotube Molecular Wires as Chemical Sensors

Jing Kong, Nathan R. Franklin, Chongwu Zhou et al. · Science · 2000 · 6K citations

, , +17