DFT calculation of hydrothermal mechanism on preparation of MoS2
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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,… read more here.
Keywords: mechanism preparation; hydrothermal mechanism; dft calculation; preparation mos2 ... See more keywords