Pressure effect on long-term heat storage ceramics based on Mg-substituted λ-Ti₃O₅

Abstract

Waste heat energy could be effectively used if the accumulated thermal energy could be conserved. However, neither typical sensible heat-storage materials such as brick and concrete nor latent heat-storage materials...

Doping Effect on the Electronic Structure and Heat-Storage Properties of Ti3O5

“…Our Δ H predictions correctly reproduce experimental trends. For Mg-substituted Ti 3 O 5 , measured Δ H decreases by 0.5 kJ mol –1 , which is close to the computed difference, 0.1 kJ mol –1 . For Al substitutions, similarly good agreement with an experimental Δ H of 2 ± 1 kJ mol –1 (calcd 2.1 kJ mol –1 ) is obtained.…”

“…A single M/Ti substitution in the 1 × 3 × 1 expansion of the conventional unit cell is our model for the experimentally synthesized 3 atom % Sc substituted crystals . 2 atom % Al-substituted Ti 3 O 5 is modeled by a 2 × 2 × 2 supercell, and the compound is doped with 1.7 atom % Mg with a 1 × 5 × 1 supercell. It has to be mentioned that all supercells are neutral since we considered only the exchange of neutral Ti and M atoms.…”

“…Substitutions of a small fraction of the Ti atoms in Ti 3 O 5 by other elements M are reported in the literature. − However, the heat-storage properties of nanocrystalline samples were studied only for M = Sc, Al, and Mg . All substitutions reduce T p as the amount of the substituted element increases and eventually to below room temperature.…”

“…6 Substitutions of a small fraction of the Ti atoms in Ti 3 O 5 by other elements M are reported in the literature. 7−13 However, the heat-storage properties of nanocrystalline samples were studied only for M = Sc, 14 Al, 15 and Mg. 16 All substitutions reduce T p as the amount of the substituted element increases and eventually to below room temperature. Therefore, compounds M x Ti 3−x O 5 can be used as heat-storage materials targeted for waste-heat utilization only if the amount of dopant is sufficiently small to ensure that T p > 298 K.…”

Long-term heat-storage materials based on λ-Ti3O5for green transformation (GX)

“…25 We then investigated the effect on the pressure-induced phase transition of l-Ti 3 O 5 to b-Ti 3 O 5 in 2022. 26 Mg-substituted l-Ti 3 O 5 (l-Mg x Ti 3Àx O 5 ) was synthesized using the following procedure (Fig. 14(a)).…”