Preparation of polyaniline@graphene nanocomposite with oxidative polymerization of pre-assembled of aniline for supercapacitor electrodes

Generalized Gradient Approximation Made Simple

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Projector augmented-wave method

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

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