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Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04521-2
Abstract: Basing on the simplest hydrothermal system containing deionized water, hexa-ammonium molybdate, and thiourea, hydrothermal mechanism on preparation of MoS2 was studied by DFT calculation. Hydrothermal process was divided into four steps which covered ionization equilibrium,…
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Keywords:
mechanism preparation;
hydrothermal mechanism;
dft calculation;
preparation mos2 ... See more keywords