articleTop 10% cited
Ab initio study of CNT NO2 gas sensor
Chemical Physics Letters · 2004 · Vol. 387(4-6) · pp. 271–276
Shu Peng✉(Stanford University)Kyeongjae Cho(Stanford University)Pengfei Qi(Stanford University)Hongjie Dai(Stanford University)
Carbon Nanotubes in CompositesGas Sensing Nanomaterials and SensorsMechanical and Optical ResonatorsCarbon nanotubeAb initioAdsorptionDiffusionMoleculeMaterials scienceChemical physicsAb initio quantum chemistry methodsSurface diffusionChemistry
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References
<i>Ab initio</i>molecular dynamics for liquid metals
Physical review. B, Condensed matter · 1993 · 43,952 citations
Periodic boundary conditions in<i>ab initio</i>calculations
Physical review. B, Condensed matter · 1995 · 2,904 citations
<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
Physical review. B, Condensed matter · 1994 · 22,145 citations
Gas molecule adsorption in carbon nanotubes and nanotube bundles
Nanotechnology · 2002 · 1,155 citations
Self-Consistent Equations Including Exchange and Correlation Effects
Physical Review · 1965 · 62,140 citations
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