The invention discloses a preparation method of FePS3, which comprises the following steps: mechanically mixing
pyrite powder,
sulfur-containing small molecules and elemental
phosphorus, calcining the fully mixed
powder in
two temperature stages under a protective
atmosphere, and cooling to obtain FePS3 nano-
powder; wherein in the first temperature stage, the temperature is 200-300 DEG C, and the heat preservation time is 120-240 minutes, and in the second temperature stage, the temperature is 400-600 DEG C, and the heat preservation time is 120-180 minutes; the
sulfur-containing small molecules are
thiourea,
thioacetamide or a mixture of the
thiourea and the
thioacetamide; the
molar ratio of
sulfur atoms to
phosphorus atoms in FeS2 molecules and sulfur-containing small molecules in the
pyrite powder is (1: 3: 5)-(1: 1: 5). According to the method,
pyrite is used as an
iron source and a sulfur source, sulfur-containing small molecules are used as a second sulfur source, and the FePS3 nano-powder is directly obtained through
solid-
phase reaction with the simple substance
phosphorus without additional purification treatment. The method is low in
solid-
phase reaction temperature and simple in process, does not need harsh
reaction conditions, and is easy for large-scale production.