科研之友
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摘要
Ab-initio calculations via periodic Hartree-Fock (HF) and local second-order Moller-Plesset perturbation theory (LMP2) are used to investigate the adsorption properties of combined Graphane/boron nitride systems and their response to static electric fields. It is shown how the latter can be used to alter both structural as well as electronic properties of these systems.
- 出版日期2015-4-21
