Concepedia

Understanding the role of nickel on the hydrogen storage capacity of Ni/MCM-41 materials

Paola M. Carraro, Andrés A. García Blanco, F. Soria, Germán Lener, Karim Sapag, Griselda A. Eimer, Marcos I. Oliva

Microporous and Mesoporous Materials · 2016 · 45 citations · 37 references

DOIFull text

Open access

Concepts

References

37

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

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

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.9K citations

, , +13

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17

Gas Storage in Nanoporous Materials

Russell E. Morris, Paul Wheatley · Angewandte Chemie International Edition · 2008 · 1.6K citations

, , +17