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Engineering the Cu/Mo2CTx (MXene) interface to drive CO2 hydrogenation to methanol

Hui Zhou, Zixuan Chen, Anna Vidal López, Estefanía Díaz López, Erwin Lam, Athanasia Tsoukalou, Elena Willinger, Denis A. Kuznetsov, Deni Mance, Agnieszka Kierzkowska,

Nature Catalysis · 2021 · 294 citations · 60 references

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Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

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

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1994 · 22.7K citations

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Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti<sub>3</sub>AlC<sub>2</sub>

Michael Naguib, Murat Kurtoglu, Volker Presser et al. · Advanced Materials · 2011 · 11.5K citations · Full text

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